Molecule Details

CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
Ugi
Molecular Properties
SMILES:
CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
MW: 457.21
Fraction sp3: 0.23
HBA: 6
HBD: 2
Rotatable Bonds: 6
TPSA: 100.35
cLogP: 3.83
Covalent Warhead:
Covalent Fragment:

Long aliphatic chain

CC(C)(C)NC(=O)C(c1ccc(Cl)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1

MAR-LAB-ff9967db-30
0.829

View
CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21

MAR-LAB-ff9967db-19
0.604

View
CC(C)CCNC(=O)C(c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(F)(F)F)c1

MAR-LAB-ff9967db-31
0.567

View
COc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(F)(F)F)c2)cc1

MAR-LAB-ff9967db-12
0.474

View
COc1cc(C(C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(=O)O)cc2)cc(OC)c1OC

MAR-LAB-ff9967db-38
0.469

View
CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1

MAR-LAB-ff9967db-4
0.459

View
CCC(C)N(C)C(=O)Cn1nnc2ccccc21

MAR-LAB-ca4662a6-7
0.442

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1nnn[nH]1

WIL-UNI-2e73223c-1
0.430

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-1
0.423

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1cncnc1

WIL-UNI-2e73223c-3
0.421

View
CN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-1
0.408

View
CCC(C)(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-20
0.408

View
COCCNC(=O)C(c1ccc(C)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21

MAR-LAB-ff9967db-3
0.404

View
CC(C)(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-17
0.402

View
CC(C)NCCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-22
0.400

View
CCC(=O)Nc1ccc(N(C)C(=O)Cn2nnc3ccccc32)cc1

EDJ-MED-06d94977-1
0.398

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1

ALP-POS-c59291d4-1
0.390

View
O=C(Cn1nnc2ccccc21)N(Cc1ccccn1)c1cnc(-c2ccccc2)nc1

ALP-POS-c0c213c9-15
0.390

View
CCC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-14
0.390

View
CN(C)c1ccc(N(Cc2cscn2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-87c86d55-1
0.388

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-5
0.388

View
CC(C)CCNC(=O)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21

MAR-LAB-ff9967db-40
0.388

View
COc1ccc(CNC(=O)C(c2ccccc2F)N(C(=O)Cn2nnc3ccccc32)c2cccnc2)cc1

MAR-LAB-ff9967db-10
0.385

View
Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1

MAD-UNK-b1ea4171-1
0.383

View
Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1

MAD-UNK-84a4f939-1
0.383

View
CC(C)(C(N)=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c0c213c9-6
0.383

View
CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-1
0.382

View
COc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1

MAR-LAB-ff9967db-27
0.381

View
CNc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c59291d4-4
0.381

View
CN(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21

EDJ-MED-06d94977-2
0.378

View
COc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-5
0.377

View
CC(CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21)N(C)C

RUT-UNI-630c5802-18
0.375

View
CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-d2866bdf-1
0.375

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)c1ccc(Oc2nnn[nH]2)cc1

WIL-UNI-2e73223c-2
0.375

View
CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-2
0.374

View
COC(C)CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-19
0.371

View
CC(C)Cc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-24
0.370

View
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cn1nnc2ccccc21

AAR-POS-8a4e0f60-1
0.370

View
CCC(=O)Nc1ccc(N(Cc2cscn2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-87c86d55-2
0.369

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Cl)cc1

PET-UNK-b75fdf9f-1
0.369

View
O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-1
0.368

View
CCN(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-21
0.368

View
Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(NC(=O)c3ccccc3)cc2)c1

RUT-UNI-630c5802-5
0.365

View
CN(C)c1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-5
0.364

View
CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-3
0.364

View
O=C(Cn1nnc2ccccc21)C(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-4
0.363

View
CN(C)c1ccc(N(Cc2ccn[nH]2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-3
0.362

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1cccnc1

RAL-THA-4a5dabff-3
0.362

View
CN(C)c1ccc(N(Cc2ccn[nH]2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-7374c256-2
0.362

View
CS(=O)(=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-2
0.361

View
O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-5
0.361

View
CN(C(=O)Cn1nnc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

AAR-POS-8a4e0f60-7
0.361

View
CNC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ROB-IMP-e811baff-1
0.360

View
O=C(Nc1ccc(N(Cc2csc(F)c2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-9
0.359

View
CN(CCO)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-26
0.358

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c59291d4-2
0.357

View
O=C(CN(C(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1)N1CCNCC1

ALP-POS-c0c213c9-3
0.357

View
O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccccc3)c2)N1

DAR-DIA-667e571f-4
0.357

View
CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-15
0.355

View
CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-2
0.355

View
Nc1ccc(CCC(=O)N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-23
0.355

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-6
0.351

View
CCC1(c2ccc(N(Cc3ccsc3)C(=O)Cn3nnc4ccccc43)cc2)CC1

RUT-UNI-630c5802-27
0.351

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-8
0.351

View
O=C(Nc1ccc(N(Cc2cc(F)co2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-13
0.350

View
O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)C1CC1

ALP-POS-c59291d4-3
0.348

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1Br

PET-UNK-b75fdf9f-2
0.346

View
COc1cc(Cl)cc(N(C(=O)Cn2nnc3ccccc32)c2ccc(N(C)C)cc2)c1

MAT-POS-06036648-2
0.345

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1cc(CF)c(-c2ccccc2)c(F)c1F

HOL-KAN-828c7b64-1
0.345

View
O=C(Cn1nnc2ccccc21)c1ccc(OC(F)(F)F)cc1

ANT-OPE-45835252-1
0.344

View
CCOCC(=O)NCc1ccc(CNC(=O)Cn2nnc3ccccc32)cc1

AAR-POS-8a4e0f60-4
0.340

View
CN(Cc1ccc(OCc2cccs2)cc1)C(=O)Cn1nnc2ccccc21

AAR-POS-8a4e0f60-8
0.339

View
CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-7
0.339

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

BEN-DND-61647d40-12
0.337

View
O=C(Cn1nnc2ccccc21)NCc1cccs1

MAR-LAB-ca4662a6-8
0.337

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-bfb445d4-1
0.337

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-3b92565d-14
0.337

View
COc1cc(Cl)cc(NC(=O)Cn2nnc3ccccc32)c1

MAT-POS-06036648-9
0.337

View
Cn1cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(N3CCCCC3)cc2)cn1

ALP-POS-7c842ab8-1
0.333

View
CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-6
0.333

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCCCC2)cc1

ALP-POS-6d04362c-3
0.333

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-4
0.333

View
O=C(Cn1nnc2ccccc21)N(Cc1ccccn1)c1ccc(-n2cnnc2)cc1

ALP-POS-c0c213c9-18
0.333

View
O=C(Cn1nnc2ccccc21)N(Cc1csc(O)c1)c1cc(CF)c(-c2ccccc2)c(Cl)c1F

HOL-KAN-47917554-1
0.333

View
O=C(Cn1nnc2ccccc21)N(CC1CCOC1)c1ccc(C2CCNCC2)cc1

ALP-POS-c0c213c9-13
0.333

View
CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-4
0.331

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

MAT-POS-ffe83904-1
0.328

View
N#Cc1cncc(NC(=O)Cn2nnc3ccccc32)c1

BEN-DND-61647d40-2
0.327

View
O=C(Cn1nnc2ccccc21)NCc1cccc(Cl)c1

MAT-POS-3b92565d-13
0.327

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-3
0.325

View
O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCCC3)C(=O)Cn3nnc4ccccc43)c2)N1

DAR-DIA-667e571f-7
0.325

View
CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-2
0.320

View
Nc1ccc(C2(c3ccc(N(Cc4ccsc4)C(=O)Cn4nnc5ccccc54)cc3)CCCCC2)cc1

RUT-UNI-630c5802-25
0.317

View
O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccc(NC(=O)C4CC4)cc3)c2)N1

DAR-DIA-667e571f-6
0.310

View
COc1cc(OC)cc(Oc2cccc(CNC(=O)Cn3nnc4ccccc43)c2)c1

MAT-POS-c79fcd02-1
0.310

View
COc1cc(OC)cc(Oc2ccc(CNC(=O)Cn3nnc4ccccc43)cc2)c1

AAR-POS-8a4e0f60-6
0.309

View
COc1ccccc1C(CNC(=O)Cn1nnc2ccccc21)NC(=O)CNc1nccs1

AAR-POS-8a4e0f60-5
0.309

View
CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-5
0.308

View
O=C(CN(C(=O)Cn1nnc2ccc(O)cc21)c1cnc(-c2ccccc2)nc1)N1CCNCC1

ALP-POS-c0c213c9-17
0.306

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1ccccc1

ERI-UCB-fbdd3ea1-24
0.298

View
CC(C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1

0.564

View
CC(C(=O)NC(C)(C)C)N(C)C(=O)Cn1nnc2ccccc21

0.559

View
CC(NC(=O)Cn1nnc2ccccc21)C(=O)NC(C)(C)C

0.517

View
CC(C)(C)NC(=O)Cn1nnc2ccccc21

0.509

View
CC(C)N(C(=O)Cn1nnc2ccccc21)c1ccc(Nc2ccccc2)cc1

0.500

View
CN(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)NC(C)(C)C)cc1

0.500

View
CN(C(=O)Cn1nnc2ccccc21)C(C(=O)O)c1ccccc1

0.500

View
CC(C)(C)NC(=O)CNC(=O)Cn1nnc2ccccc21

0.492

View
CC(C)(CO)C(CNC(=O)Cn1nnc2ccccc21)c1ccccc1

0.484

View
CN(Cc1ccc(O)cc1)C(=O)Cn1nnc2ccccc21

0.483

View
CN(C(=O)Cn1nnc2ccccc21)c1ccccc1

0.482

View
COC(=O)C(NC(=O)Cn1nnc2ccccc21)c1ccc(O)cc1

0.477

View
CC(C)(C)NC(=O)NC(=O)Cn1nnc2ccccc21

0.475

View
O=C(Cn1nnc2ccccc21)Nc1ccc(O)cc1

0.475

View
CC(CO)(CO)NC(=O)Cn1nnc2ccccc21

0.475

View
CC(C)C(C)(C)NC(=O)Cn1nnc2ccccc21

0.475

View
CC(NC(=O)Cn1nnc2ccccc21)(c1ccccc1)c1ccccc1

0.475

View
CC(C)(CO)C(NC(=O)Cn1nnc2ccccc21)c1ccccc1

0.469

View
CC(C)(C)NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc21

0.468

View
CCN(Cc1ccc(O)cc1)C(=O)Cn1nnc2ccccc21

0.468

View
CC(c1ccc(-c2ccccc2)cc1)N(C)C(=O)Cn1nnc2ccccc21

0.468

View
CC(C)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1

0.467

View
CC(C)(NC(=O)Cn1nnc2ccccc21)C(F)F

0.467

View
CCN(C(=O)Cn1nnc2ccccc21)c1ccccc1

0.466

View
O=C(Cn1nnc2ccccc21)N[C@H](CO)Cc1ccc(O)cc1

0.462

View
CC(C)(C)c1ccc(C(O)CNC(=O)Cn2nnc3ccccc32)cc1

0.462

View
CN(C)C(CNC(=O)Cn1nnc2ccccc21)c1ccccc1

0.460

View
COC(=O)C(c1ccccc1)N(C)C(=O)Cn1nnc2ccccc21

0.460

View
CN(C(=O)Cn1nnc2ccccc21)C(CCO)c1ccccc1

0.460

View
O=C(Cn1nnc2ccccc21)NCc1ccc(O)cc1

0.459

View
CN(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)(C)C)cc1

0.459

View
CCC(C)(CO)NC(=O)Cn1nnc2ccccc21

0.459

View
CC(C)(C)NC(=O)CCNC(=O)Cn1nnc2ccccc21

0.459

View
CC(CO)(CO)CNC(=O)Cn1nnc2ccccc21

0.459

View
CC(N(C)C(=O)Cn1nnc2ccccc21)C(C)(C)O

0.459

View
CN(CC(C)(CO)CO)C(=O)Cn1nnc2ccccc21

0.459

View
CC(C)c1ccc(N(C)C(=O)Cn2nnc3ccccc32)cc1

0.459

View
CN(C(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1ccccc1

0.458

View
CC(F)(F)CNC(=O)Cn1nnc2ccccc21

0.458

View
O=C(Cn1nnc2ccccc21)NN(c1ccccc1)c1ccccc1

0.458

View
CN(C(=O)Cn1nnc2ccccc21)C(C)(C)C

0.456

View
CN(C)c1ccc(C(CNC(=O)Cn2nnc3ccccc32)N(C)C)cc1

0.455

View
CC(CO)(COc1ccccc1)NC(=O)Cn1nnc2ccccc21

0.455

View
CC(C)(CO)C(NC(=O)Cn1nnc2ccccc21)C1CC1

0.455

View
CC(COc1ccccc1)(NC(=O)Cn1nnc2ccccc21)C(=O)O

0.455

View
CCCCCCC(C)(NC(=O)Cn1nnc2ccccc21)C(=O)O

0.455

View
CC(NC(=O)Cn1nnc2ccccc21)c1ccc(C(C)(C)C)cc1

0.453

View
CC(CNC(=O)Cn1nnc2ccccc21)N(C)c1ccccc1

0.453

View
CC(Cc1ccc(O)cc1)NC(=O)Cn1nnc2ccccc21

0.453

View
O=C(Cn1nnc2ccccc21)NCC(O)c1ccc(-c2ccccc2)cc1

0.453

View
CC(C)c1ccc(C(C)(C)NC(=O)Cn2nnc3ccccc32)cc1

0.453

View
CC(C)(C)NC(=S)NNC(=O)Cn1nnc2ccccc21

0.452

View
O=C(Cn1nnc2ccccc21)NC(CO)c1ccccc1

0.452

View
CC(C)(C)C(NC(=O)Cn1nnc2ccccc21)c1ccccc1

0.452

View
CCC(c1ccccc1)N(CC)C(=O)Cn1nnc2ccccc21

0.452

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O=C(Cn1nnc2ccccc21)N[C@@H](CO)c1ccccc1

0.452

View
O=C(Cn1nnc2ccccc21)N[C@H](CO)c1ccccc1

0.452

View
CN(C)CC(c1ccccc1)N(C)C(=O)Cn1nnc2ccccc21

0.452

View
CC(C)(C)[C@H](NC(=O)Cn1nnc2ccccc21)C(=O)O

0.452

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CC(c1ccccc1)N(C)C(=O)Cn1nnc2ccccc21

0.450

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O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)c1ccccc1

0.450

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CC(C)(CO)NC(=O)Cn1nnc2ccccc21

0.450

View
CC(C)(C)CC(C)(C)NC(=O)Cn1nnc2ccccc21

0.450

View
CC(C)(NC(=O)Cn1nnc2ccccc21)c1ccccc1

0.450

View
CC(N(C)C(=O)Cn1nnc2ccccc21)C(C)(C)C

0.450

View
CC(C)(O)CNC(=O)Cn1nnc2ccccc21

0.450

View
CN(CC(C)(C)O)C(=O)Cn1nnc2ccccc21

0.450

View
C[C@H](CO)N(C)C(=O)Cn1nnc2ccccc21

0.450

View
CC(CO)N(C)C(=O)Cn1nnc2ccccc21

0.450

View
CN(C(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1

0.450

View
CN(C(=O)Cn1nnc2ccccc21)C(C)(C)C(=O)O

0.450

View
CN(CC(C)(C)N)C(=O)Cn1nnc2ccccc21

0.450

View
CC(C)(NC(=O)Cn1nnc2ccccc21)C(=O)O

0.450

View
CC(C(=O)NC(C)(C)C)N(C)C(=O)NCCn1nnc2ccccc21

0.448

View
CCN(CC)C(CNC(=O)Cn1nnc2ccccc21)c1ccccc1

0.446

View
CC(NC(C)(C)CNC(=O)Cn1nnc2ccccc21)c1ccccc1

0.446

View
CC(c1cccc(O)c1)N(C)C(=O)Cn1nnc2ccccc21

0.446

View
CCC(C)C(C)(O)CNC(=O)Cn1nnc2ccccc21

0.446

View
CC(CN(C(=O)Cn1nnc2ccccc21)[C@@H](C)CO)c1ccccc1

0.446

View
CC(C)CN(CC(C)(C)C(=O)O)C(=O)Cn1nnc2ccccc21

0.446

View
CC(NC(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1

0.444

View
CC(C)(C)CC(NC(=O)Cn1nnc2ccccc21)c1ccccc1

0.444

View
O=C(Cn1nnc2ccccc21)NCCc1ccc(O)cc1

0.444

View
CC(NC(=O)Cn1nnc2ccccc21)C(C)(C)c1ccccc1

0.444

View
CC(O)(CNC(=O)Cn1nnc2ccccc21)c1ccccc1

0.444

View
CC(C)C(C)(O)CNC(=O)Cn1nnc2ccccc21

0.444

View
CC(C)CC(C)(CNC(=O)Cn1nnc2ccccc21)NC(=O)Cn1nnc2ccccc21

0.444

View
C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1

0.444

View
CC(C)(C)NC(=O)N1CCN(C(=O)Cn2nnc3ccccc32)CC1

0.444

View
CN(CC(C)(O)c1ccccc1)C(=O)Cn1nnc2ccccc21

0.444

View
CC(O)C(C)(C)CNC(=O)Cn1nnc2ccccc21

0.444

View
CN(C)CCC(C)(C)NC(=O)Cn1nnc2ccccc21

0.444

View
CN(C(=O)Cn1nnc2ccccc21)C(CO)CC(C)(C)C

0.444

View
CC(NC(=O)Cn1nnc2ccccc21)(C(=O)O)c1ccccc1

0.444

View
CC(C)C(C)(NC(=O)Cn1nnc2ccccc21)C(=O)O

0.444

View
CC(C)(C)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21

0.443

View
CCCCN(C(=O)Cn1nnc2ccccc21)c1ccccc1

0.443

View
CC(CNC(=O)Cn1nnc2ccccc21)(c1ccccc1)c1ccccc1

0.443

View
CCN(C(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1ccccc1

0.443

View
O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)c1ccccc1

0.443

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1

0.195

View
COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.194

View
COc1ccc(C(C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC

0.194

View
CC(C)c1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1

0.194

View
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cc1

0.193

View
COc1cccc(C(C(=O)NCC2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)c1

0.193

View
COc1ccc(NC(=O)C(c2ccc(F)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1

0.192

View
COc1cccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)c1

0.192

View
COc1ccc(NC(=O)C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c(OC)c1

0.191

View
COc1cc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC

0.191

View
O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccc2c(c1)OCO2)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21

0.190

View
COc1ccc(NC(=O)C(c2cc(OC)c(OC)c(OC)c2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.189

View
CN(C)c1ccc(NC(=O)C(c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.189

View
COc1ccc(NC(=O)C(c2ccccc2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)c(OC)c1

0.188

View
COc1cccc(C(C(=O)NCC2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)c1

0.188

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1OC

0.187

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N(C)C)cc2)C(C)C)cc1

0.186

View
Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)C(C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(C(C)C)cc1

0.186

View
COc1ccc(NC(=O)C(c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1

0.185

View
COc1ccc(C(C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1OC

0.185

View
COc1ccc(NC(=O)C(c2ccc(Cl)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1

0.184

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2OC)c2ccc(C)cc2)cc1

0.184

View
COc1ccc(NC(=O)C(c2cccc(OC)c2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1

0.183

View
COc1cc(C(C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC

0.182

View
COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCC2CCCO2)c2ccc(C)cc2)cc1OC

0.181

View
COc1ccc(NC(=O)C(c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.181

View
COc1ccc(C(C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1

0.180

View
CN(C)c1ccc(NC(=O)C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.179

View
CN(C)c1ccc(NC(=O)C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.179

View
CN(C)c1ccc(NC(=O)C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.179

View
COc1cc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC

0.179

View
COc1ccc(NC(=O)C(c2cccc(F)c2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.179

View
COc1ccc(NC(=O)C(c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.179

View
COc1ccc(C(C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.178

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1OC

0.178

View
COc1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.177

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1

0.177

View
O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21

0.177

View
Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)C(C(=O)Nc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1

0.176

View
Cc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(Cl)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.176

View
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1

0.176

View
COc1ccc(C(C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.175

View
COc1ccc(NC(=O)C(c2cc(OC)c(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.175

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2)cc1

0.175

View
COc1ccc(C(C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1OC

0.175

View
Cc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1

0.172

View
COc1ccc(NC(=O)C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.171

View
COc1ccc(NC(=O)C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.171

View
COc1cc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC

0.170

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N(C)C)cc2)c2cc(OC)c(OC)c(OC)c2)cc1

0.170

View
O=C(Nc1ccc(N2CCOCC2)cc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21

0.168

View
COc1ccc(C(C(=O)NCC2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1

0.167

View
CN(C)c1ccc(C(C(=O)NCC2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1

0.167

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1OC

0.166

View
CC(C)c1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.166

View
O=C(NCc1ccccc1)C(c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2

0.166

View
COc1ccc(NC(=O)C(c2ccc(C(C)C)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1

0.166

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2)c2ccc(F)cc2)cc1

0.164

View
COc1ccc(NC(=O)C(c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.164

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2)c2ccc(OC)c(OC)c2)cc1

0.164

View
COc1ccc(C(C(=O)NCc2ccccc2)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)cc1

0.163

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1OC

0.162

View
COc1ccc(NC(=O)C(c2ccc(C(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.161

View
COc1ccc(NC(=O)C(c2ccccc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.160

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2)c2ccc(Cl)cc2)cc1

0.159

View
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccccc2)c2ccc(F)cc2)c1

0.159

View
COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1

0.157

View
CC(C)c1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.156

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC

0.156

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)c(OC)c2)cc1

0.156

View
COc1cccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)c1

0.152

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1

0.151

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(Cl)cc2)cc1

0.151

View
COc1ccc(NC(=O)C(c2ccccc2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.150

View
O=C(Nc1ccc(F)cc1)C(c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1

0.150

View
COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.150

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1

0.149

View
COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(Cc2ccc(Cl)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.147

View
COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(F)cc2)c2cc(OC)c(OC)c(OC)c2)cc1

0.146

View
COc1cccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)c1

0.144

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1

0.143

View
COc1ccc(C(C(=O)NCC2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1

0.143

View
COc1ccc(C(C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.143

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2)c2ccc(C(C)C)cc2)cc1

0.139

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.136

View
COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.134

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(OC)cc2)c2ccc(OC)cc2)cc1

0.134

View
Cc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1

0.133

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(C(C)C)cc2)cc1

0.131

View
COc1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.126

View
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1

0.126

View
COc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1

0.121

View
COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccccc2)c2ccc(C)cc2)c1

0.116

View
COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1

0.101

View
COc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1

0.092

View
COc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)cc1

0.088

View
CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1

0.081

View
COc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1

0.066

View
CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccccc2)c2ccc(OC)cc2)cc1

0.056

View
COc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1

0.049

View
C(N(C(CN(C(C(N(C)C)=O)C1=CC=CC=C1)C)=O)C1=CC=CC=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.835

View
C(N(C1C=CC=C(N(C(C(N(C)C)=O)C2=CC=CC=C2)C)C=1)C(C)=O)(=O)CN1C2=C(C=CC=C2)N=N1

0.816

View
C(N(C(CCCN(C(C(N(C)C)=O)C1=CC=CC=C1)C)=O)C1=CC=CC=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.803

View
C(N(C(CN1C(C2=CC=CC=C2)CN(C2CC2)CC1)=O)C1=CC=C(OC)C=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.798

View
C(N1C(=O)CN(C(C(N(C)C)=O)C2=CC=CC=C2)C2=C1C=CC=C2)(=O)CN1C2=C(C=CC=C2)N=N1

0.793

View


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