Molecule Details

Molecular Properties
SMILES:
COC(=O)Nc1sc(C)nc1-c1ccccc1
MW: 248.307
Fraction sp3: 0.17
HBA: 4
HBD: 1
Rotatable Bonds: 2
TPSA: 51.22
cLogP: 3.29682
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z979145504
Mcule: MCULE-9622838432
MolPort: MolPort-001-965-012

carbamate include di-substitued N

Cc1nc(-c2ccccc2)c(NC(=O)C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)s1

JAR-IMP-ed466bb3-10
0.422

View
CC(=O)Nc1ccc(Oc2nccc(Nc3sc(C)nc3-c3ccccc3)n2)cc1

ASH-UNK-40b46b30-17
0.420

View
Cc1nc(-c2ccccc2)c(NCC(C2CCC(c3cn(C)nn3)N2)S(C)(=O)=O)s1

JAC-SHE-fb00f511-1
0.319

View
COC(=O)/C=C1\SC(c2ccccc2)=NC1=O

MAT-POS-ea426761-7
0.304

View
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)c1

TAT-ENA-80bfd3e5-1
0.261

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CCn1ccnc1-c1c(-c2ccccc2)ncn1CCSc1nccn1C

MAT-POS-ea426761-87
0.236

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Cc1onc(-c2ccccc2)c1C(=O)N(Cc1nccn1C)C1CC1

MAT-POS-ea426761-35
0.233

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CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)sc2c1CCCC2

MAR-TRE-f5c2d31c-32
0.233

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O=C(Nc1cccnc1)Oc1ccccc1

SAN-PRS-52b81272-3
0.232

View
Cc1cc(C(=O)c2ccccc2)c(NC(=O)c2ccco2)s1

MAR-LAB-ff9967db-35
0.225

View
O=C(Nc1cnccc1-c1ccccc1)Oc1cccc(Cl)c1

ALP-POS-ddb41b15-7
0.224

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Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4o3)sc2C)cc1

MAT-POS-ea426761-6
0.224

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CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1

AAR-POS-dddeddbf-4
0.222

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COC(=O)C(Nc1cnc(CCl)[nH]1)c1ccccc1

MAR-TRE-87acfbcc-95
0.221

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COc1cccc2sc(NC(=O)CCl)nc12

AAR-POS-0daf6b7e-4
0.221

View
COCc1nc2c(NC(=O)CNC(C)=O)cccn2n1

MAR-TRE-7f7bb9f0-79
0.220

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.219

View
COc1ccc(C2CC(c3ccccc3)=NN2C(=O)CCl)cc1

NIM-UNI-13494739-8
0.217

View
COc1ccc(CC(Nc2cncnc2)C(=O)O)cc1

MAR-TRE-85681e92-91
0.216

View
O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.215

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O=C(CNc1c(-c2ccccc2)nc2ccccn12)N/N=C/c1cccc2ccccc12

ROD-LAS-d5538ff9-4
0.214

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Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)c(C)c1

WAR-XCH-79d12f6e-1
0.213

View
Cc1c(N)cncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-2
0.213

View
CNC(=O)OC1CCN(S(=O)(=O)c2ccccc2)CC1

GIA-UNK-595fac82-4
0.213

View
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)c(C)c1

WAR-XCH-b0339bbe-12
0.213

View
COCC(C(=O)Nc1cnccc1C)c1ccccc1

BEN-DND-93268d01-2
0.212

View
CC(C(=O)Nc1cncnc1)c1ccccc1

BEN-DND-93268d01-1
0.211

View
COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1

LON-WEI-1908424e-6
0.211

View
Cc1nn(C)cc1-c1c(-c2ccccc2)ncn1CCNC(=O)c1ccncc1

MAT-POS-ea426761-86
0.211

View
CC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1

ANT-OPE-7824651a-2
0.211

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COc1ccc(N(C(=O)Nc2ccccc2)c2cccnc2)cc1

WIL-UNI-5578df48-5
0.210

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O=C(Nc1cccnc1)c1cc(Cl)ccc1-c1ccccc1

CHR-SOS-7098f804-14
0.210

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Cc1nc(C)c(OC(=O)c2cccc3[nH]ccc23)s1

JOH-UNI-6fc75a7c-4
0.210

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CN(Cc1ccc(F)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1

MAR-LAB-ff9967db-5
0.209

View
Cc1c(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cnc2cc(=O)[nH]n12

MAT-POS-ea426761-36
0.208

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Cc1c(O)cncc1NC(=O)C(C)c1ccccc1

BEN-DND-93268d01-16
0.208

View
Cc1ncccc1NC(=O)c1csc(CCN)n1

MAR-TRE-67513f76-66
0.207

View
Cc1ccc(-c2cc(-c3ccccc3Cl)nc(NC(=O)NCc3ccccc3)n2)cc1

MAT-GRU-7002a1a0-1
0.207

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CC(Br)NC(=O)Nc1ccccc1

MAX-MCD-16e3709a-1
0.206

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COc1ccc(-c2nc3ccc(-c4ccc(NC(=O)c5ccccc5)nc4)cc3o2)cc1

DRA-CSI-3ab97369-8
0.206

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.205

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.205

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CC(=O)N(C(=O)Nc1ccccc1)c1cccnc1

DAR-DIA-fc970077-9
0.205

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N#CCCn1cc(CO)c(-c2ccccc2)n1

MAR-TRE-0fda4e82-78
0.205

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O=C(O)C(C(=O)Oc1csc(CCl)n1)c1ccccc1

MAR-TRE-36bf7dba-30
0.205

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Cc1nc(C(NC(=O)c2cncnc2)c2ccccc2)no1

MAR-TRE-4f781e27-51
0.205

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CC(=O)Nc1nnc(S(N)(=O)=O)s1

MAR-TRE-fffca54f-98
0.203

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COc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1

MAR-TRE-e86a56b5-64
0.203

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Cc1ncncc1NC(=O)Nc1ccccc1

HAN-NEW-5f56c3bc-1
0.203

View
Cc1ccncc1NC(=O)C(C)Cc1ccccc1

BEN-DND-93268d01-14
0.203

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COc1cc(N)c(C(=O)c2nc(O)sc2CCl)cc1OC

MAR-TRE-aca67d11-3
0.203

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N#Cc1ccc(-c2ccccc2)nc1SCc1ccc(C(=O)O)cc1

MAR-TRE-14ce9fd6-48
0.202

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O=C(CCl)Nc1nc(=O)n(Cc2ccccc2)cc1-c1cccnc1

MED-COV-4280ac29-28
0.202

View
COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccccc2)CC3)c1

MAT-POS-b5746674-29
0.202

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COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1

MAR-TRE-3724962b-32
0.200

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COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(Br)c(OC)c1OC

MAT-POS-ea426761-11
0.200

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O=C(CCl)Nc1nc2c(S(=O)(=O)NCCc3ccccc3)cccc2s1

DUN-NEW-f8ce3686-23
0.200

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Cc1c(N)cncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-8
0.200

View
O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.200

View
Cc1nnc(NC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-4
0.200

View
COc1cccc(C(=O)c2nc(O)sc2CCl)c1

MAR-TRE-aca67d11-8
0.200

View
COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1

KEI-TRE-d5e2018a-93
0.198

View
COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC(=O)Nc3ccccc3)c(OC)c2)cc1

TAT-ENA-80bfd3e5-31
0.198

View
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCl)c1

TAT-ENA-80bfd3e5-36
0.198

View
CC(C)(C)OC(=O)N(C(=O)Nc1cccnc1)c1ccccc1

WIL-UNI-5578df48-4
0.198

View
C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCl

MAR-TRE-6a44bbf2-64
0.197

View
Cc1nnc(CC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-5
0.197

View
Cc1sc(CNC(=O)c2cncnc2)nc1C(=O)O

MAR-TRE-e82e6c98-68
0.197

View
Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17
0.197

View
COc1ccc2c(=O)cc(-c3ccccc3)oc2c1

LYN-UNI-7bb260d6-3
0.197

View
Cc1ccncc1NC(=O)C(C)c1ccccc1

AHN-SAT-202241f6-1
0.197

View
O=C(O)C(C(=O)c1nc(O)sc1CCl)c1ccccc1

MAR-TRE-aca67d11-10
0.197

View
O=C(Nc1ccccc1)N1CCN(S(=O)(=O)F)CC1

SAD-SAT-2fd372d1-8
0.197

View
C/C(O)=C(/C#N)C(=O)Nc1ccccc1

JOH-SUS-bab12148-1
0.197

View
O=C(CC(=O)Nc1ccncc1)Nc1ccccc1

GIA-UNK-3f36037a-7
0.197

View
O=C(Nc1ccccc1)c1ccccc1

CHR-SOS-7098f804-9
0.197

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COc1ccc(Cl)cc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1

MAR-TRE-4b834d9a-79
0.196

View
COCc1cc(C)nc(SCC(=O)NCc2ccccc2)c1C#N

MAR-TRE-a3327163-30
0.196

View
CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Cc2ccccc2)n1

LON-WEI-ff7b210a-4
0.196

View
COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(N)nc1

MAR-TRE-f6f5f473-73
0.195

View
Cc1nnc(SCC(=O)Nc2sccc2C#N)s1

MAR-TRE-a3327163-50
0.195

View
CC(=O)Nc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1

NAU-LAT-ec9c7557-1
0.195

View
Cc1cc(O)nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1

MAR-TRE-f5c2d31c-84
0.195

View
Cc1ncsc1OC(=O)c1cccc2[nH]ccc12

JOH-UNI-6fc75a7c-3
0.195

View
Cc1ccncc1NC(=O)C(F)c1ccccc1

ABI-SAT-4d06482b-1
0.195

View
Cc1cccc(C(=O)Oc2cncc(F)c2)c1

JON-UIO-56032f80-2
0.195

View
COc1ccc2oc(-c3ccccc3)cc(=O)c2c1

LYN-UNI-c2dd631d-15
0.195

View
Cc1cccc(C)c1OCC(=O)NCCc1ccccc1

ALE-UNK-fca05062-3
0.195

View
Cc1nc(C)c(C(=O)c2nc(O)sc2CCl)cc1C(=O)O

MAR-TRE-aca67d11-67
0.195

View
O=C(O)C(Nc1cncnc1)C(O)c1ccccc1

MAR-TRE-85681e92-49
0.194

View
CNc1cncc(NC(=O)Nc2ccccc2)c1

SID-ELM-2583a2cd-6
0.194

View
COC(=O)CCC(=O)c1nc(O)sc1CCl

MAR-TRE-aca67d11-64
0.194

View
COc1ccc(-c2csc(CC(=O)Nc3cnccc3C)n2)cc1

GAB-REV-70cc3ca5-15
0.193

View
CC(=O)Nc1ncn(N(C(=O)Oc2ccccc2)c2cccnc2)n1

BEN-BAS-589c65df-1
0.193

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)CC1

NIM-UNI-05f93fcc-2
0.193

View
Cc1ccncc1NC(=O)NC1(Oc2ccccc2)CC1

CHR-SOS-1f323c23-10
0.193

View
CNCCOC(C(=O)Nc1cccnc1)c1ccccc1

ADA-UNI-f8e79267-4
0.193

View
COC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

FAR-UNI-a04c1544-1
0.193

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Cc1cn2c(-c3cccnc3)c(-c3ccc(F)cc3)nc2s1

ALV-UNI-7ff1a6f9-43
0.193

View
CNc1cnc(Cl)c(NC(=O)Nc2ccccc2)c1

SID-ELM-8b394441-6
0.192

View
COC(=O)NC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.485

View
COC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.483

View
COC(=O)NC1=CC=C(OC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.478

View
COC(=O)NNC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.469

View
CC(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1

0.458

View
COC(=O)NCC(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1

0.457

View
CONC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.452

View
COC(=O)NC1=CC=CC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=C1

0.451

View
COC(=O)NC1=CC=CC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=C1C

0.451

View
COC(=O)N[C@@H](C)C(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1

0.451

View
COCC(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1

0.448

View
COC(=O)NC1=CC=C(S(=O)(=O)NC2=NC(C3=CC=CC=C3)=C(NC(C)=O)S2)C=C1

0.447

View
COC(=O)NC1=CC=C(C(=O)NC2=NC(C3=CC=CC=C3)=C(NC(C)=O)S2)C=C1

0.446

View
CC1=NC(C)=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)S1

0.439

View
COC(=O)NCCNC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.435

View
COC1=CC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=CC(OC)=C1

0.435

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NO)S1

0.433

View
COC(=O)NC(C)(C)C(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1

0.431

View
COC(=O)NCCC(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1

0.431

View
COC(=O)NC1=CC=C(COC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.427

View
COC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.426

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NN)S1

0.426

View
COC(=O)NC1=CC=C(OC(=O)C2=C(C3=CC=CC=C3)SC(C)=N2)C=C1

0.425

View
COC(=O)N[C@H](C(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1)C(C)C

0.425

View
COC(=O)NC(C(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1)C(C)C

0.425

View
COC(=O)NCCOC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.423

View
CC(=O)NC1=C(C2=CC=CC=C2)N=C(NC(=O)C2=C(C)SC(C)=N2)S1

0.423

View
COC(=O)C1=CC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=CC(C(=O)OC)=C1

0.423

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NC2=CC=CC=C2)S1

0.422

View
CON(C)C(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.422

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NS(C)(=O)=O)S1

0.422

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)OC2=CC=CC=C2)S1

0.422

View
COC(=O)NC1=CC=CC=C1C(=O)NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1

0.421

View
COC(=O)NCC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.419

View
COCCNC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.418

View
COC(=O)COC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.418

View
COC(=O)NC1CCN(C(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)CC1

0.413

View
COC(=O)CNC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.412

View
COC(=O)NC1CN(C(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C1

0.411

View
COC(=O)NC1=CC=C(CCNC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.410

View
COC(=O)NC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1F

0.410

View
COC(=O)NC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)SC(C)=N2)C=C1

0.408

View
COC1=CC=CC=C1NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.408

View
COC1=CN=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)N=C1

0.408

View
COC(=O)NC1=CC=C(S(=O)(=O)NC2=NC(C3=CC=CC=C3)=C(C)S2)C=C1

0.408

View
COC(=O)N(C)NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.406

View
COC(=O)C(C)NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.406

View
COC(=O)[C@H](C)NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.406

View
COC(=O)[C@@H](C)NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.406

View
COC(=O)NC1=CC=C(C(=O)NC2=NC(C3=CC=CC=C3)=C(C)S2)C=C1

0.405

View
COC(=O)NC1=CC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=CC=C1F

0.405

View
CCS(=O)(=O)NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.403

View
CCN(OC)C(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.403

View
COC(=O)C1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.403

View
COC(=O)C1(C(=O)NC2=NC(C3=CC=CC=C3)=C(NC(C)=O)S2)CC1

0.403

View
COC(=O)NC1CCC(OC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)CC1

0.403

View
COC(=O)C1=NSC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=N1

0.400

View
COC(=O)NC1=CC=CC(C(=O)NC2=NC(C3=CC=CC=C3)=C(NC(C)=O)S2)=C1

0.400

View
COC(=O)NCC(=O)NC1=NC(C2=CC=CC=C2)=C(C)S1

0.400

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NC2=C(C)N=CS2)S1

0.400

View
CCC(NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1)C(=O)OC

0.400

View
COC(=O)C(C)S(=O)(=O)NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.397

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NC2=CC=CC=C2C)S1

0.397

View
COC(=O)C1=CC=CC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=C1

0.395

View
COC(=O)N[C@@H](C)C(=O)NC1=NC(C2=CC=CC=C2)=C(C)S1

0.394

View
COC(=O)CCNC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.394

View
COC(=O)NC(C)(C)C(=O)NC1=NC(C2=CC=CC=C2)=C(C)S1

0.394

View
COC(=O)N1CCN(C(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)CC1

0.394

View
COC(=O)NNC(=O)C1=C(C2=CC=CC=C2)SC(C)=N1

0.394

View
COC1=CC(OC)=C(OC)C=C1NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.392

View
COC(=O)C1=C(C)N=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)S1

0.392

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NC2=CC=CC=C2I)S1

0.391

View
COC(=O)NCC(=O)NC1=C(C2=CC=CC=C2)N=CS1

0.391

View
COC(=O)NC1=CC=CC(CNC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=C1

0.390

View
COC(=O)C1=CSC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=C1C

0.390

View
COC(=O)C1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)S1

0.387

View
COC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1OC

0.387

View
COC(=O)C1=C(C)C=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)S1

0.387

View
COC(=O)CCS(=O)(=O)NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.387

View
COC1=CC=C(C)N=C1NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.387

View
COC(=O)CC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.387

View
CC1=NC(C2=CC=CC=C2)=C(C(=O)NC2=NN=CS2)S1

0.386

View
COC(=O)N[C@@H](C)C(=O)NC1=C(C2=CC=CC=C2)N=CS1

0.386

View
COC(=O)NC1=CC=C(CNC(=O)COC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1

0.386

View
COC(=O)NC1=CC=CC(NC(=O)C2=C(C3=CC=CC=C3)SC(C)=N2)=C1C

0.382

View
COC(=O)C1=CN=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)S1

0.382

View
COC(=O)C1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)N=N1

0.382

View
CC1=NC(C(=O)NC2=C(C3=CC=CC=C3)N=CS2)=C(C)S1

0.380

View
COC(=O)NC1=CC=C(C(=O)NC2=C(C3=CC=CC=C3)N=CS2)C=C1

0.378

View
CC1=NC(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)=N[NH]1

0.375

View
COC(=O)NC1=CC=C(NC(=O)C(=O)NC2=C(C)N=C(C3=CC=CC=C3)S2)C=C1

0.373

View
COC(=O)C1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N=C(C)S2)C=C1C(=O)OC

0.372

View
CC1=NC(C(=O)NC2=NC(C3=CC=CC=C3)=C(C)S2)=C(C)S1

0.371

View
COC(=O)NC1=CC=CC(NC(=O)C2=C(C3=CC=CC=C3)SC(C)=N2)=C1

0.368

View
COC(=O)CC1=C(C2=CC=CC=C2)N=C(NC(=O)C2=C(C)SC(C)=N2)S1

0.364

View
COC(=O)NNC(=O)C(=O)NC1=C(C)N=C(C2=CC=CC=C2)S1

0.361

View
COC(=O)NC1=CC=C(NC(=O)C(=O)NC2=C(C)N=C(C)S2)C=C1

0.358

View
COC(=O)NC1=CC=CC=C1C(=O)NC1=C(C)N=C(C)S1

0.357

View
COC(=O)C1=CC=CC=C1NNC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.354

View
COC1=CC(OC)=C(OC)C=C1CNC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1

0.350

View
COC(=O)Nc1sc(C)nc1-c1ccccc1

1.000

View
CCOC(=O)Nc1sc(C)nc1-c1ccccc1

0.750

View
COC(=O)Nc1sc(N)nc1-c1ccccc1

0.660

View
COC(=O)Nc1sc(nc1-c1ccccc1)-c1ccccc1

0.625

View
COC(=O)Nc1sc(nc1-c1ccccc1)-c1ccc(Cl)cc1

0.547

View
CCOC(=O)Nc1sc(nc1-c1ccccc1)-c1ccc(F)cc1

0.451

View
CCOC(=O)Nc1sc(nc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F

0.419

View
CCOC(=O)Nc1sc(nc1-c1ccc(C)cc1)-c1ccccc1

0.414

View
CCOC(=O)Nc1sc(nc1-c1ccc(Cl)cc1)-c1ccccc1

0.392

View
CCOC(=O)Nc1sc(nc1-c1ccc(F)cc1)-c1ccc(F)cc1

0.342

View


Discussion: