Molecule Details

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

Molecular Properties
SMILES:
C=CCOc1ccc(CN(C(=O)C2CCN(C(=O)CCl)CC2)C(C)(C)C)cc1
MW: 406.2
Fraction sp3: 0.55
HBA: 3
HBD: 0
Rotatable Bonds: 7
TPSA: 49.85
cLogP: 3.86
Covalent Warhead: ✔️
Covalent Fragment: ✔️

isolated alkene

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

MED-COV-4280ac29-15

View

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

SAD-SAT-29425be4-8
0.396

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

SAD-SAT-29425be4-22
0.394

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

SAD-SAT-29425be4-21
0.393

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

LON-WEI-120e5cf5-5
0.392

View
CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-30
0.379

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-19
0.378

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3
0.378

View
Cc1cccc(COc2c(C)cc(CN(C)C(=O)C3CCN(C(=O)CCl)CC3)cc2C)c1

SAD-SAT-29425be4-18
0.374

View
CCc1ccc(CN(Cc2cccnc2)C(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-27
0.372

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

MAK-UNK-c97f7c8f-2
0.365

View
CCCN(CC)C(=O)C1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-5
0.364

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

SAD-SAT-29425be4-28
0.356

View
CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-1
0.351

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

YOI-UNK-a533afbc-6
0.348

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

YOI-UNK-12211982-6
0.348

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

LON-WEI-120e5cf5-15
0.346

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

MAR-TRE-6a44bbf2-86
0.346

View
Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)C(=O)C2CCN(C(=O)CCl)CC2)c1C

SAD-SAT-29425be4-5
0.344

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
0.343

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

MAK-UNK-c97f7c8f-1
0.341

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

LON-WEI-120e5cf5-19
0.341

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

SAD-SAT-29425be4-2
0.340

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

SAD-SAT-29425be4-26
0.340

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

AAR-POS-5507155c-2
0.337

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

LON-WEI-120e5cf5-17
0.337

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

AAR-POS-f650c5f2-4
0.337

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

LON-WEI-120e5cf5-1
0.337

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

SAD-SAT-29425be4-23
0.333

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

LON-WEI-120e5cf5-10
0.333

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

SAD-SAT-29425be4-9
0.330

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

SAD-SAT-29425be4-16
0.330

View
Cc1nc(N(C)C(=O)C2CCN(C(=O)CCl)CC2)sc1C(=O)O

YOI-UNK-a533afbc-2
0.330

View
Cc1nc(N(C)C(=O)C2CCN(C(=O)CCl)CC2)sc1C(=O)O

YOI-UNK-12211982-2
0.330

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

MAK-UNK-750cfbcc-2
0.329

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

MAK-UNK-750cfbcc-1
0.329

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

SAD-SAT-29425be4-13
0.326

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

SAD-SAT-29425be4-14
0.326

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

LON-WEI-120e5cf5-21
0.326

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

LON-WEI-120e5cf5-20
0.325

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

BEN-DND-76ad4ac9-4
0.321

View
CN(c1ccc(C#N)cn1)C1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-8
0.318

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

LON-WEI-120e5cf5-3
0.318

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

MAK-UNK-af83ef51-6
0.318

View
CC(=O)Oc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-9
0.318

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

SAD-SAT-29425be4-29
0.316

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

SAD-SAT-29425be4-20
0.315

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

SAD-SAT-29425be4-15
0.315

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

LON-WEI-120e5cf5-4
0.315

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

LON-WEI-120e5cf5-13
0.315

View
CN(C)Cc1ccc([C@H]2CN(C(=O)CCl)CCO2)cc1

JOK-SYG-8934678c-1
0.315

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

NIR-THE-0d6461ce-1
0.314

View
Cc1cc(Cl)cc(NC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-9
0.314

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

SAD-SAT-29425be4-19
0.312

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

SAD-SAT-29425be4-6
0.312

View
Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-10
0.309

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

MAK-UNK-6ca90168-11
0.309

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

LON-WEI-120e5cf5-11
0.307

View
CC(=O)NCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-8
0.307

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

MAK-UNK-750cfbcc-3
0.307

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

MAR-TRE-6a44bbf2-79
0.307

View
CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.304

View
CC(=O)OCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-10
0.303

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

MAR-TRE-6a44bbf2-15
0.302

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

AAR-POS-0daf6b7e-6
0.302

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

MAK-UNK-69bf97dd-9
0.302

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

AAR-POS-0daf6b7e-5
0.301

View
O=C(CCl)N1CCC(C(=O)N(c2cc3c(s2)CCCC3)C2CCC(O)CC2)CC1

WAR-XCH-bdd24732-27
0.300

View
CC(=O)SCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-12
0.300

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

SAD-SAT-29425be4-12
0.299

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

AAR-POS-0daf6b7e-9
0.299

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

MAK-UNK-750cfbcc-5
0.299

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

VIR-GIT-7b3d3065-2
0.299

View
O=C(CCl)N1CCC(Oc2ccsc2)CC1

MAK-UNK-212f693e-10
0.298

View
O=C(CCl)N1CCC(c2ccc(CO)cc2)OC1

NIM-UNI-43fe0159-4
0.298

View
O=C(CCl)N1CCC(Nc2ccsc2)CC1

MAK-UNK-212f693e-13
0.298

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

LON-WEI-120e5cf5-16
0.295

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

MAR-TRE-6a44bbf2-9
0.295

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

GIA-UNK-a79af1bc-1
0.294

View
O=C(CCl)N1CCC(c2ccc(CS)cc2)OC1

NIM-UNI-43fe0159-6
0.294

View
NCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-2
0.294

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

MAK-UNK-3d7e3904-2
0.293

View
N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.293

View
CCNc1ncc(C#N)cc1CC1CCN(C(=O)CCl)CC1

NIR-THE-0d6461ce-6
0.292

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

SAD-SAT-9a6c5cf3-10
0.292

View
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1

SAD-SAT-f2e2579e-10
0.292

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

SAD-SAT-29425be4-25
0.291

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2N(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)c1

MAK-UNK-8fdbca50-25
0.290

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)nc2)c1

MAK-UNK-8fdbca50-23
0.289

View
CC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAK-UNK-750cfbcc-4
0.289

View
C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAR-TRE-6a44bbf2-66
0.289

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

MAK-UNK-a7992eb3-7
0.289

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

YOI-UNK-15f562e8-1
0.288

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)C(C)(C)NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-8fdbca50-41
0.288

View
O=C(CCl)N1CCC(C(=O)N2CCNC2)CC1

MAK-UNK-704ed37c-1
0.287

View
Cc1cc(Cl)cc(CC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-8
0.287

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1

WAR-XCH-79d12f6e-4
0.287

View
CN(C)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

JOK-SYG-18591e8f-1
0.287

View
O=C(CCl)N1CCC(Cc2ccsc2)CC1

MAK-UNK-212f693e-32
0.286

View
CC1(C)CN(C(=O)C2CCN(C(=O)CCl)CC2)CC1N

YOI-UNK-15f562e8-2
0.286

View
Cc1n[nH]c(-c2ccc(C)c(NC(=O)C3CCN(C(=O)CCl)CC3)c2)n1

LON-WEI-120e5cf5-7
0.284

View
C=CCOc1ccc(CN(C(=O)C2CCSCC2)C(C)(C)C)cc1

0.714

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

0.815

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

0.786

View
C=CCOc1ccc(CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C(C)(C)C)cc1

0.786

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

0.786

View
C=CCOc1ccc(CN(C(=O)C2CC2)C(C)(C)C)cc1

0.784

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

0.772

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

0.759

View
C=CCOc1ccc(CN(C(=O)C2CCN(C(=O)CC)C2)C(C)(C)C)cc1

0.759

View
C=CCOc1ccc(CN(C(=O)C2CCC2)C(C)(C)C)cc1

0.755

View
C=CCOc1ccc(CN(C(=O)C2CCCC2)C(C)(C)C)cc1

0.755

View
C=CCOc1ccc(CN(C(=O)C2CCN(C3CC3)CC2)C(C)(C)C)cc1

0.750

View
C=CCOc1ccc(CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C(C)(C)C)cc1

0.746

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

0.724

View
C=CCOc1ccc(CN(C(=O)C2CCOCC2)C(C)(C)C)cc1

0.714

View
C=CCOc1ccc(CN(C(=O)C2CN(C(C)=O)C2)C(C)(C)C)cc1

0.714

View
C=CCOc1ccc(CN(C(=O)C2CCN(S(=O)(=O)CC)CC2)C(C)(C)C)cc1

0.712

View
C=CCOc1ccc(CN(C(=O)C2CCN(CC(F)(F)F)CC2)C(C)(C)C)cc1

0.712

View
C=CCOc1ccc(CN(C(=O)C2CCN(CC(F)F)CC2)C(C)(C)C)cc1

0.712

View
C=CCOc1ccc(CN(C(=O)C2CCC(OC)CC2)C(C)(C)C)cc1

0.702

View
C=CCOc1ccc(CN(C(=O)C2CCC(C(=O)OC)CC2)C(C)(C)C)cc1

0.702

View
C=CCOc1ccc(CN(C(=O)C2CCS(=O)(=O)CC2)C(C)(C)C)cc1

0.702

View
C=CCOc1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)OC)CC2)C(C)(C)C)cc1

0.702

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

0.698

View
C=CCOc1ccc(CN(C(=O)C2CC=CC2)C(C)(C)C)cc1

0.691

View
C=CCOc1ccc(CN(C(=O)C2CC(C)C2)C(C)(C)C)cc1

0.691

View
C=CCOc1ccc(CN(C(=O)C2CC=CCC2)C(C)(C)C)cc1

0.690

View
C=CCOc1ccc(CN(C(=O)C2CCOC2)C(C)(C)C)cc1

0.690

View
C=CCOc1ccc(CN(C(=O)C2CCC(F)(F)C2)C(C)(C)C)cc1

0.690

View
C=CCOc1ccc(CN(C(=O)C2CCC(F)C2)C(C)(C)C)cc1

0.684

View
C=CCOc1ccc(CN(C(=O)C2CCN(C)C(=O)C2)C(C)(C)C)cc1

0.683

View
C=CCOc1ccc(CN(C(=O)C2CCN(c3ncccn3)CC2)C(C)(C)C)cc1

0.677

View
C=CCOc1ccc(CN(C(=O)C2CCCN(C(=O)CC)C2)C(C)(C)C)cc1

0.677

View
C=CCOc1ccc(CN(C(=O)C2CCCN(C(C)=O)C2)C(C)(C)C)cc1

0.672

View
C=CCOc1ccc(CN(C(=O)C2CCCOC2)C(C)(C)C)cc1

0.667

View
C=CCOc1ccc(CN(C(=O)C2CC(F)(F)C2)C(C)(C)C)cc1

0.667

View
C=CCOc1ccc(CN(C(=O)C2CCC(NC(C)=O)CC2)C(C)(C)C)cc1

0.667

View
C=CCOc1ccc(CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C(C)(C)C)cc1

0.667

View
C=CCOc1ccc(CN(C(=O)C2CCCOCC2)C(C)(C)C)cc1

0.667

View
C=CCOc1ccc(CN(C(=O)C2CCCN(C(=O)C3CC3)C2)C(C)(C)C)cc1

0.661

View
C=CCOc1ccc(CN(C(=O)C2CCCN(C(=O)C(C)(C)C)C2)C(C)(C)C)cc1

0.661

View
C=CCOc1ccc(CN(C(=O)C2CCN(CC(F)(F)F)C2)C(C)(C)C)cc1

0.661

View
C=CCOc1ccc(CN(C(=O)C2CCSC2)C(C)(C)C)cc1

0.661

View
C=CCOc1ccc(CN(CC(=O)N2CCC(C(N)=O)CC2)C(C)(C)C)cc1

0.661

View
C=CCOc1ccc(CN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C(C)(C)C)cc1

0.651

View
C=CCOc1ccc(CN(C(=O)C2CC3CCCC(C2)C3=O)C(C)(C)C)cc1

0.650

View
C=CCOc1ccc(CN(C(=O)C2CCS(=O)(=O)C2)C(C)(C)C)cc1

0.650

View
C=CCOc1ccc(CN(C(=O)C2CCCSC2)C(C)(C)C)cc1

0.650

View
C=CCOc1ccc(CN(C(=O)C2SCCS2)C(C)(C)C)cc1

0.649

View
C=CCOc1ccc(CN(CC(=O)N2CCC(C(=O)OC)CC2)C(C)(C)C)cc1

0.639

View
C=CCOc1ccc(CN(C(=O)C2CC2(Cl)Cl)C(C)(C)C)cc1

0.638

View
C=CCOc1ccc(CN(C(=O)C2CCCS2(=O)=O)C(C)(C)C)cc1

0.633

View
C=CCOc1ccc(CN(C(=O)C2CC2C)C(C)(C)C)cc1

0.632

View
C=CCOc1ccc(CN(C(=O)[C@@H]2C[C@H]2C)C(C)(C)C)cc1

0.632

View
C=CCOc1ccc(CN(C(=O)[C@H]2C[C@@H]2C)C(C)(C)C)cc1

0.632

View
C=CCOc1ccc(CN(C(=O)C2CCC(=O)C(C)C2)C(C)(C)C)cc1

0.629

View
C=CCOc1ccc(CN(C(=O)C2CCOC(C)C2)C(C)(C)C)cc1

0.629

View
C=CCOc1ccc(CN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C(C)(C)C)cc1

0.629

View
C=CCOc1ccc(CN(C(=O)C2CC(=O)N(C)C2)C(C)(C)C)cc1

0.623

View
C=CCOc1ccc(CN(C(=O)[C@@H]2CCCN2C(C)=O)C(C)(C)C)cc1

0.623

View
C=CCOc1ccc(CN(C(=O)C2C3CCC(=O)C32)C(C)(C)C)cc1

0.623

View
C=CCOc1ccc(CN(C(=O)C2CCCCS2(=O)=O)C(C)(C)C)cc1

0.623

View
C=CCOc1ccc(CN(C(=O)C2COC(C)C2)C(C)(C)C)cc1

0.623

View
C=CCOc1ccc(CN(C(=O)C2CCCN(C(=O)C(C)CC)C2)C(C)(C)C)cc1

0.621

View
C=CCOc1ccc(CN(C(=O)C2CC(=O)N(C3CC3)C2)C(C)(C)C)cc1

0.619

View
C=CCOc1ccc(CN(C(=O)C2CCCO2)C(C)(C)C)cc1

0.617

View
C=CCOc1ccc(CN(C(=O)[C@H]2CCCO2)C(C)(C)C)cc1

0.617

View
C=CCOc1ccc(CN(C(=O)[C@@H]2CCCO2)C(C)(C)C)cc1

0.617

View
C=CCOc1ccc(CN(C(=O)C2CC2C2CC2)C(C)(C)C)cc1

0.617

View
C=CCOc1ccc(CN(C(=O)C2CCOC(CCC)C2)C(C)(C)C)cc1

0.615

View
C=CCOc1ccc(CN(C(=O)C2CCOCC2C)C(C)(C)C)cc1

0.613

View
COc1ccc(CN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)C(C)(C)C)cc1

0.613

View
CC(C)(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)COc2ccccc2)CC1

0.610

View
C=CCOc1ccc(CN(C(=O)C2CC23CC3)C(C)(C)C)cc1

0.610

View
C=CCOc1ccc(CN(C(=O)C2CCOc3ccccc32)C(C)(C)C)cc1

0.609

View
C=CCOc1ccc(CN(C(=O)C2CCOC(CC)C2)C(C)(C)C)cc1

0.609

View
C=CCOc1ccc(CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C(C)(C)C)cc1

0.609

View
C=CCOc1ccc(CN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)C(C)(C)C)cc1

0.609

View
C=CCOc1ccc(CN(C(=O)[C@H]2CCC(=O)O2)C(C)(C)C)cc1

0.607

View
C=CCOc1ccc(CN(C(=O)C2CCCS2)C(C)(C)C)cc1

0.607

View
C=CCOc1ccc(CN(C(=O)C2CCOC2C)C(C)(C)C)cc1

0.607

View
C=CCOc1ccc(CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C(C)(C)C)cc1

0.607

View
C=CCOc1ccc(CN(C(=O)C2CCCN(c3ncccn3)C2)C(C)(C)C)cc1

0.606

View
C=CCOc1ccc(CN(C(=O)C2CCCN(S(=O)(=O)CC)C2)C(C)(C)C)cc1

0.606

View
C=CCOc1ccc(CN(C(=O)CC2CC2)C(C)(C)C)cc1

0.603

View
C=CCOc1ccc(CN(C(=O)C2CC(=O)N(CC)C2)C(C)(C)C)cc1

0.603

View
C=CCOc1ccc(CN(C(=O)C2CCCN(C(=O)c3ccncc3)C2)C(C)(C)C)cc1

0.603

View
C=CCOc1ccc(CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)(C)C)cc1

0.600

View
C=CCOc1ccc(CN(C(=O)[C@H]2C[C@@H]2C(F)F)C(C)(C)C)cc1

0.600

View
C=CCOc1ccc(CN(C(=O)C2COCCO2)C(C)(C)C)cc1

0.597

View
C=CCOc1ccc(CN(C(=O)C2CCCCO2)C(C)(C)C)cc1

0.597

View
C=CCOc1ccc(CN(C(=O)[C@H]2CCC(=O)N2C)C(C)(C)C)cc1

0.597

View
C=CCOc1ccc(CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C(C)(C)C)cc1

0.597

View
C=CCOc1ccc(CN(C(=O)[C@@H]2CCO[C@H]2C=C)C(C)(C)C)cc1

0.597

View
C=CCOc1ccc(CN(C(=O)C2CC3(CC(C#N)C3)C2)C(C)(C)C)cc1

0.594

View
C=CCOc1ccc(CN(C(C)=O)C(C)(C)C)cc1

0.593

View
C=CCOc1ccc(CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C(C)(C)C)cc1

0.592

View
CC(C)(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1

0.590

View
C=CCOc1ccc(CN(C(=O)C2CC23CCC3)C(C)(C)C)cc1

0.590

View
C=CCOc1ccc(CC(=O)N2CCC(C(=O)N(C)OC)CC2)cc1

0.590

View
COc1ccc(CNC(=O)CCC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1

0.200

View
COc1ccc(CNC(=O)CCC(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1

0.200

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

0.198

View
COc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1

0.197

View
C=CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1

0.196

View
CCOc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1.O=C(O)C(=O)O

0.196

View
CCCCN(C)C(=O)C1CCN(Cc2ccc(OCC)cc2)CC1.O=C(O)C(=O)O

0.196

View
COc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1

0.194

View
COc1ccc(CNC(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)cc1

0.194

View
CCOc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O

0.193

View
CCOc1ccc(CNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1

0.193

View
COc1c(C)cc(CN(C)C(=O)C2CCN(C(C)=O)CC2)cc1C

0.191

View
CCOc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1.O=C(O)C(=O)O

0.190

View
COc1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1

0.188

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

0.186

View
CCOc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1

0.186

View
CCOc1ccc(CN2CCC(C(=O)NC3CCCC3)CC2)cc1.O=C(O)C(=O)O

0.185

View
CCOc1ccc(CN2CCC(C(=O)NC(C)c3ccccc3)CC2)cc1.O=C(O)C(=O)O

0.183

View
CCOc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1.O=C(O)C(=O)O

0.183

View
CCOc1ccc(CN2CCC(C(=O)N3CCCC(C)C3)CC2)cc1.Cl

0.179

View
CCOc1ccc(CN2CCC(C(=O)NC(C)C)CC2)cc1.O=C(O)C(=O)O

0.179

View
CCOc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1.O=C(O)C(=O)O

0.179

View
CC(=O)N1CCC(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1

0.179

View
COc1ccc(CNC(=O)C2CCN(C(C)=O)CC2)cc1

0.178

View
CCOc1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1.O=C(O)C(=O)O

0.177

View
CCOc1ccc(CN(C(=O)CCCN2CCCCC2=O)C2CC2)cc1

0.175

View
CCOc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1

0.172

View
CCOc1ccc(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1

0.170

View
CCOc1ccc(C(=O)N2CCC(C)(C(=O)NCc3ccc(C)cc3)CC2)cc1

0.170

View
C=CC(=O)N1CCC(C(=O)NCc2ccc(OCC)cc2)CC1

0.169

View
CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1

0.167

View
CCOc1ccc(CN2CCC(C(=O)N(CC)Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O

0.167

View
CCOc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1.O=C(O)C(=O)O

0.167

View
CCOc1ccc(C(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1

0.160

View
CCOc1ccc(C(=O)N2CCC(C)(C(=O)NCc3ccc(OC)cc3)CC2)cc1

0.160

View
CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OCC)cc2)CC1.O=C(O)C(=O)O

0.158

View
CCOc1ccc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1

0.156

View
CCOc1ccc(C(C)NC(=O)C2CCN(C(C)=O)CC2)cc1

0.154

View
CCOc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1

0.145

View
CCOc1ccc(CN(C)C(=O)C2CCN(C)C(=O)C2)cc1

0.145

View
C(N(CC1=CC=C(OC)C=C1)C(C#N)(C)C)(=O)C1CCN(C(C)=O)CC1

0.861

View
C(N(CC)C(C)(C)C)(=O)C1CCN(C(C2=CC=C(OC)C=C2)=O)CC1

0.845

View
C(N(C(C)(C)C)CC1=CC=CC=C1)(=O)C1CCN(C(C2=CC=C(OC)C=C2)=O)CC1

0.841

View
C(N(CC1=CC=C(OC)C=C1)C1CC1)(=O)C1CCN(C(C)=O)CC1

0.836

View
C(N(C(C)(C)C)CC1=CC=CC=C1)(=O)C1CCN(C(C)=O)CC1

0.827

View


Discussion: