Molecule Details

CC(C)(C)OC(=O)C(C)(NC(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

Molecular Properties
SMILES:
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1
MW: 408.18
Fraction sp3: 0.57
HBA: 4
HBD: 1
Rotatable Bonds: 5
TPSA: 75.71
cLogP: 2.84
Covalent Warhead: ✔️
Covalent Fragment: ✔️

Carboxylic acid esters

Ester

Long aliphatic chain

O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

MED-COV-4280ac29-15

View

O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-15
0.466

View
O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-86
0.466

View
Cc1cccc(C(C)(C)CNC(=O)C2CCN(C(=O)CCl)CC2)c1

SAD-SAT-29425be4-20
0.451

View
CC(NC(=O)C1CCN(C(=O)CCl)CC1n1os1)(C(=O)O)c1ccccc1

YOI-UNK-12211982-4
0.448

View
CC(NC(=O)C1CCN(C(=O)CCl)CC1n1os1)(C(=O)O)c1ccccc1

YOI-UNK-a533afbc-4
0.448

View
CC(C)(C)OC(=O)Cc1cccc(CNC(=O)C2CCN(C(=O)CCl)CC2)c1

SAD-SAT-29425be4-9
0.427

View
CNC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-2
0.418

View
O=C(Nc1ccccc1Br)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-16
0.418

View
O=C(Nc1ccn(-c2ccccc2)n1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-12
0.412

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-15
0.410

View
CC(C)(C)OC(=O)C(C)(NC(=O)c1cncnc1)c1ccccc1

MAR-TRE-66ac689e-70
0.410

View
CC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cc1

LON-WEI-120e5cf5-10
0.410

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-6
0.410

View
CC(C)(CNC(=O)C1CCN(C(=O)CCl)CC1)c1coc(-c2ccccc2)n1

SAD-SAT-29425be4-4
0.409

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

LON-WEI-120e5cf5-5
0.403

View
CC(C)(C)c1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)s1

SAD-SAT-29425be4-14
0.398

View
CC(=O)c1cccc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

LON-WEI-120e5cf5-19
0.398

View
CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-6
0.395

View
O=C(Nc1cccnc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-11
0.395

View
O=C(Nc1ccccc1N1CCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-2
0.393

View
COc1cc(NC(=O)C2CCN(C(=O)CCl)CC2)cc(OC)c1OC

LON-WEI-120e5cf5-3
0.390

View
Cc1ccnc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

LON-WEI-120e5cf5-13
0.386

View
O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-20
0.385

View
Cc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)nc1

MAK-UNK-c97f7c8f-1
0.383

View
Cc1cccnc1NC(=O)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-21
0.381

View
O=C(OCc1ccccc1)c1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-29
0.380

View
CC(C)COc1ccc(C(C)NC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-28
0.379

View
CC(C)(C)c1cccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)c2ccc(Cl)cc2)c1

SAD-SAT-29425be4-25
0.379

View
O=C(NCc1ccccc1S(=O)(=O)N1CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-8
0.378

View
COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-17
0.376

View
O=C(Nc1ccccc1C1COC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-3
0.376

View
COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-5507155c-2
0.376

View
COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-f650c5f2-4
0.376

View
COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-1
0.376

View
CC(c1cccc(Cl)c1)N(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-7
0.376

View
Cc1ccc(SCCNC(=O)C2CCN(C(=O)CCl)CC2)cc1C

SAD-SAT-29425be4-3
0.375

View
CC(C)(C)C1CN(C(=O)C2CCN(C(=O)CCl)CC2)CCN1CCOc1ccccc1

SAD-SAT-29425be4-26
0.375

View
O=C(NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O)C1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-1
0.375

View
CCc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)nc1

MAK-UNK-c97f7c8f-2
0.373

View
CCN(C(=O)C1CCN(C(=O)CCl)CC1)C(CF)c1ccccc1

YOI-UNK-a533afbc-6
0.372

View
CCN(C(=O)C1CCN(C(=O)CCl)CC1)C(CF)c1ccccc1

YOI-UNK-12211982-6
0.372

View
O=C(Nc1cc(Cl)nc2ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-14
0.371

View
O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-7
0.370

View
CC(C)c1ccc(CCCNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-15
0.368

View
O=C(Nc1ccccc1OC1CS(=O)(=O)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-7
0.367

View
CC(C)Cc1ccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)C(C)C)cc1

SAD-SAT-29425be4-13
0.364

View
CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-8
0.361

View
O=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1

AAR-POS-0daf6b7e-5
0.359

View
O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1

SAD-SAT-f2e2579e-6
0.359

View
COC(=O)C(C)(C)N(Cc1cccc(OC)c1OC)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-22
0.358

View
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-6
0.358

View
O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-17
0.357

View
CC1C(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-5
0.356

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-2
0.355

View
O=C(Nc1ccccc1Oc1ccccn1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-8
0.355

View
CN(CCCCN(C)C(=O)C1CCN(C(=O)CCl)CC1)C(=O)OC(C)(C)C

SAD-SAT-29425be4-21
0.353

View
O=C(Nc1ccc(N2CCNC2=O)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-4
0.352

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAR-TRE-6a44bbf2-79
0.352

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAK-UNK-750cfbcc-3
0.352

View
O=C(CCl)N1CCC(C(c2ccccc2)c2ccccc2)CC1

MAK-UNK-6ca90168-11
0.351

View
CN(C)c1ccc(C(CNC(=O)C2CCN(C(=O)CCl)CC2)N(C)C)cc1

SAD-SAT-29425be4-19
0.348

View
O=C(CCl)N1CCC(C(=O)N2CCCCCC2)CC1

MAK-UNK-750cfbcc-5
0.342

View
O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

AAR-POS-0daf6b7e-9
0.342

View
O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

VIR-GIT-7b3d3065-2
0.342

View
O=C(CCl)N1CCC(C(=O)N2CCNO2)CC1

MAK-UNK-704ed37c-5
0.342

View
O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1

SAD-SAT-9a6c5cf3-10
0.341

View
NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-1
0.338

View
O=C(CCl)N1CCC(C(=O)N2CCCO2)CC1

MAK-UNK-704ed37c-2
0.338

View
Cc1cccc(NC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-1
0.337

View
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-9
0.337

View
O=C(Nc1ccccc1OCC1(c2ccccn2)CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-9
0.337

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)C1(CNC(=O)OC(C)(C)C)CCOC1

SAD-SAT-29425be4-2
0.333

View
O=C(Nc1ccc2c(c1)[nH]c1ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-9
0.333

View
CCCCc1ccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)C(C)C)cc1

SAD-SAT-29425be4-12
0.333

View
C=CCOc1ccc(CN(C(=O)C2CCN(C(=O)CCl)CC2)C(C)(C)C)cc1

SAD-SAT-29425be4-11
0.333

View
O=C(CCc1ccccc1)NC1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-9
0.333

View
O=C(Nc1ccccc1)C1CCN(C(=O)CB(O)O)CC1

JAG-SYN-9c2cd0bd-8
0.329

View
O=C(c1cccc(F)c1)C1CCN(C(=O)CCl)CC1

BEN-DND-76ad4ac9-4
0.329

View
CC(CCc1ccccc1)N1CCN(C(=O)CCl)CC1

MAK-UNK-af83ef51-2
0.329

View
O=C(CCl)N1CCC(C(=O)N2CONO2)CC1

MAK-UNK-704ed37c-8
0.329

View
O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-2
0.327

View
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)CCl)CC2)CC1

SAD-SAT-f2e2579e-4
0.326

View
Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-af83ef51-6
0.325

View
O=C(CCl)N1CCC(C(=O)N2CCSC2)CC1

MAK-UNK-704ed37c-4
0.325

View
O=C(Nc1cccc(C2=NN=C3CCCCC32)c1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-6
0.324

View
CC(C)N(Cc1ccc(-c2ccccc2)s1)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-16
0.323

View
CN1CCC(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)CC1

GIA-UNK-20b63697-5
0.322

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)Oc1ccccc1NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-6
0.321

View
O=C(CCl)N1CCN(C(=O)Nc2ccccc2)CC1

AHN-SAT-de2502ba-7
0.321

View
O=C(CCl)N1CCC(C(=O)N2CNOC2)CC1

MAK-UNK-704ed37c-7
0.321

View
Cn1c(CNC(=O)C2CCN(C(=O)CCl)CC2)nc2c1C(n1os1)CCC2

YOI-UNK-12211982-1
0.320

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.320

View
Cn1c(CNC(=O)C2CCN(C(=O)CCl)CC2)nc2c1C(n1os1)CCC2

YOI-UNK-a533afbc-1
0.320

View
O=C(CCl)N1CCN(C(=O)c2ccccc2)CC1

MAK-UNK-987948f6-2
0.320

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-1
0.320

View
NS(=O)(=O)c1ccc2cccc(NC(=O)C3CCN(C(=O)CCl)CC3)c2c1

MAK-UNK-69bf97dd-4
0.320

View
O=C(NC1CCCC(C2CCCCC2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-1
0.318

View
Cc1cc(C)nc(NC2CCN(C(=O)CCl)CC2)n1

GIA-UNK-a79af1bc-1
0.317

View
O=C(CCl)N1CCN(c2ccccc2[N+](=O)[O-])CC1

AAR-POS-d2a4d1df-28
0.317

View
O=C(CCl)N1CCC(C(=O)N2CNCO2)CC1

MAK-UNK-704ed37c-6
0.316

View
CC(=O)N1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.760

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCN(C(N)=O)CC1)c1ccccc1

0.745

View
COC(=O)N1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.731

View
CNC(=O)N1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.731

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CC1)c1ccccc1

0.723

View
CCC(=O)N1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.722

View
CN1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.720

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC1)c1ccccc1

0.694

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCCC1)c1ccccc1

0.694

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCN(C2CC2)CC1)c1ccccc1

0.692

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC(F)CC1)c1ccccc1

0.680

View
CC(C)N1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.679

View
C#CCN1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.673

View
CC(C)CN1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.673

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

0.667

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCN(CC(F)F)CC1)c1ccccc1

0.661

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCOCC1)c1ccccc1

0.654

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCSCC1)c1ccccc1

0.654

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC(O)CC1)c1ccccc1

0.654

View
CC(=O)N1CC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.654

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccccc1

0.649

View
COC1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.642

View
COC(=O)C1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.642

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCS(=O)(=O)CC1)c1ccccc1

0.642

View
COC(=O)[C@H]1CC[C@H](C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.642

View
CCC(=O)N1CCCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.638

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC(C(C)(C)O)CC1)c1ccccc1

0.630

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CC=CC1)c1ccccc1

0.627

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1

0.627

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1

0.625

View
COC(=O)C(C)(NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1

0.625

View
COC(=O)C(C)(NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1

0.625

View
CN1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1=O

0.625

View
C[C@@H]1C[C@H](C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CCN1C

0.625

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC(F)C1)c1ccccc1

0.623

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1

0.621

View
CC(=O)NC1CCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.618

View
CC(C)(C)OC(=O)N1CCC(C(=O)NC(C)(C(N)=O)c2ccccc2)CC1

0.618

View
CN1CCCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.618

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCNC(=O)C1)c1ccccc1

0.618

View
CC(C)(C)OC(=O)N1CCC(C(=O)NC(C)(C(=O)O)c2ccccc2)CC1

0.618

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CC(=O)C1)c1ccccc1

0.615

View
CC1CC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.615

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CC(F)C1)c1ccccc1

0.615

View
CC(C)(C)OC(=O)C(C)(NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1

0.615

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CSC1)c1ccccc1

0.615

View
CC(C)(C)OC(=O)C(C)(NC(=O)[C@H]1C[C@@H](O)C1)c1ccccc1

0.615

View
CC(=O)N1CCCC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.614

View
CC(C)(C)OC(=O)C(C)(NCC(=O)N1CCC(C(N)=O)CC1)c1ccccc1

0.614

View
COC(=O)C(C)(NC(=O)C1CCN(C(C)=O)CC1)c1ccccc1

0.611

View
COC(=O)N1CCC(C(=O)NC(C)(C(=O)OC)c2ccccc2)CC1

0.611

View
CC(C)(C)OC(=O)C(C)(NC(=O)CNC(=O)C1CC1)c1ccccc1

0.611

View
CCOC(=O)C(C)(NC(=O)C1CCN(C(C)=O)CC1)c1ccccc1

0.607

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCCOCC1)c1ccccc1

0.607

View
CCOC(=O)N1CCC(C(=O)NC(C)(C(=O)OCC)c2ccccc2)CC1

0.607

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1C2CCCC21)c1ccccc1

0.604

View
CC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)(C(N)=O)c1ccccc1

0.603

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCCN(C(N)=O)C1)c1ccccc1

0.603

View
C[C@@H]1C[C@H](C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)CCN1C(=O)OC(C)(C)C

0.603

View
CC(NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)(C(=O)O)c1ccccc1

0.603

View
COC(=O)C(C)(NC(=O)C1CCN(C(N)=O)CC1)c1ccccc1

0.600

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCOC1)c1ccccc1

0.600

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC(=O)C1)c1ccccc1

0.600

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCSC1)c1ccccc1

0.600

View
CC(C)(C)OC(=O)C(C)(NC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)c1ccccc1

0.596

View
CC(C)(C)OC(=O)C(C)(NC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)c1ccccc1

0.596

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC2(CC1)CC(=O)C2)c1ccccc1

0.596

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCn2cncc2C1)c1ccccc1

0.593

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CC(F)(F)C1)c1ccccc1

0.593

View
COC1CC(C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.593

View
CC(C)(C)OC(=O)C(C)(NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1

0.593

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCc2nnnn2CC1)c1ccccc1

0.590

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1

0.589

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccccc1

0.589

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1

0.589

View
CNC(=O)N1CCC(C(=O)NC(C)(C(=O)OC)c2ccccc2)CC1

0.589

View
CCC(C)(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

0.589

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCS(=O)(=O)C1)c1ccccc1

0.589

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC(=O)NC1)c1ccccc1

0.589

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCCSC1)c1ccccc1

0.589

View
CCN1CCC1C(=O)NC(C)(C(=O)OC(C)(C)C)c1ccccc1

0.589

View
COC(=O)[C@@H]1CC[C@H](C(=O)NC(C)(C(=O)OC(C)(C)C)c2ccccc2)C1

0.589

View
CC1CCN(C(=O)CNC(C)(C(=O)OC(C)(C)C)c2ccccc2)CC1

0.589

View
CCOC(=O)N1CCC(C(=O)NC(C)(C(=O)OC)c2ccccc2)CC1

0.586

View
CCOC(=O)C(C)(NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccccc1

0.586

View
CCOC(=O)C(C)(NC(=O)C1CCN(C(=O)OC)CC1)c1ccccc1

0.586

View
CCNC(=O)N1CCC(C(=O)NC(C)(C(=O)OC)c2ccccc2)CC1

0.586

View
CCC(=O)N1CCC(C(=O)NC(C)(C(=O)OC)c2ccccc2)C1

0.586

View
CCOC(=O)C(C)(NC(=O)C1CCN(C(=O)NC)CC1)c1ccccc1

0.586

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1SCCS1)c1ccccc1

0.585

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCC1F)c1ccccc1

0.585

View
CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)(C(N)=O)c1ccccc1

0.583

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CCn2ccnc2C1)c1ccccc1

0.583

View
CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)(C(=O)O)c1ccccc1

0.583

View
COC(=O)C(C)(NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1

0.582

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CNC(=O)C1)c1ccccc1

0.582

View
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC(C)(C(N)=O)c2ccccc2)C1

0.579

View
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC(C)(C(N)=O)c2ccccc2)C1

0.579

View
COC(=O)C(C)(NC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1

0.579

View
CC(C)(C)OC(=O)C(C)(NC(=O)C1CC2CCCC(C1)C2=O)c1ccccc1

0.579

View
C=CC(=O)N1CCC(C(=O)N(C)C(C(=O)OC)c2ccccc2)CC1

0.194

View
COC(=O)C(NC(=O)C1CCN(CC(F)F)CC1)c1ccccc1

0.194

View
C=CC(=O)N1CCC(C(=O)NC(C(=O)OC)c2ccc(Cl)cc2)CC1

0.192

View
CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)CC1

0.123

View
CC(C)(C)OC(=O)[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1

0.063

View
C(NC(C(OC)=O)(C1=CC=CC(Br)=C1)C)(=O)C1CCN(C(C)=O)CC1

0.835

View
C(NC(C(OC)=O)(C1=CC=CC(Br)=C1)C)(=O)C1CCN(C)CC1

0.799

View
C(NC(C(OC)=O)(C1=CC=CC(Br)=C1)C)(=O)C1CCN(C(OC(C)(C)C)=O)CC1

0.791

View
C(NC(C(OC)=O)(C1=CC=CC(Br)=C1)C)(=O)C1CCN(C(OC)=O)CC1

0.780

View
C(NC(C(OC)=O)(C1=CC=CC(Br)=C1)C)(=O)C1CCN(CC(F)F)CC1

0.779

View


Discussion: