Molecule Details

MAK-UNK-f983951f-1 View Submission
O=C(CCl)NC12CC3CC(CC(C3)C1)C2
Molecular Properties
SMILES:
O=C(CCl)NC12CC3CC(CC(C3)C1)C2
MW: 227.11
Fraction sp3: 0.92
HBA: 1
HBD: 1
Rotatable Bonds: 2
TPSA: 29.1
cLogP: 2.31
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine BB: EN300-01516
Enamine SCR: Z56862400
Enamine REAL: Z56862400
Mcule: MCULE-8182516025
MolPort: MolPort-000-224-591

adamantyl

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

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O=C(CCl)NC(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-2
0.641

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CC(Cl)C(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-3
0.475

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CC(Cl)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-4
0.413

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N#CC1(NC(=O)CCl)CCC1

MAK-UNK-f983951f-17
0.318

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O=C(CCl)NC1CC1

MAK-UNK-f983951f-25
0.308

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O=C(Cc1cccc(Cl)c1)NC12CC3CC(CN(C3)C1)C2

MIC-UNK-b12b7f76-2
0.292

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N#CC1(NC(=O)CCl)CCCCC1

MAK-UNK-f983951f-14
0.292

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N#CC1(NC(=O)CCl)CCCCCC1

MAK-UNK-f983951f-15
0.292

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COC(=O)C1(NC(=O)CCl)CCCCC1

MAK-UNK-f983951f-20
0.292

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.267

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O=C(CCl)NC(=O)NC1CC1

MAK-UNK-f983951f-24
0.267

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O=C(CCl)NC1CCCCC1

SAD-SAT-edc8a235-1
0.267

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Cc1nc(C2(NC(=O)CCl)CCCCC2)no1

MAR-TRE-6a44bbf2-25
0.254

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O=C(CCl)NC1=CSCC1

SAD-SAT-6b5a89f0-1
0.245

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N#CC1CN(C(=O)CCl)CO1

SAD-SAT-6b5a89f0-4
0.235

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CC(NC(=O)NC(=O)CCl)C1CC2CCC1C2

MAK-UNK-f983951f-18
0.233

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CC(C)(O)CNC(=O)CCl

MAT-POS-162a9720-9
0.233

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O=C(CCl)NNS(=O)(=O)c1ccccc1

SAD-SAT-65574d3f-3
0.231

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O=C(CCl)Nc1ccsc1

SAD-SAT-6b5a89f0-10
0.229

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O=C(CCl)NC1(c2ccc3c(c2)OCCO3)CCCC1

MAR-TRE-6a44bbf2-72
0.227

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.225

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O=C(CCl)Nc1cnc(C2CC2)nc1

YOI-UNK-4c10088f-1
0.222

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O=C(CCl)NCC(=O)N1CCCC1

SAD-SAT-65574d3f-7
0.220

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O=C(CCl)N1CC2CC1C(c1ccc(F)cc1)O2

MAK-UNK-3f402c2b-10
0.219

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CC(=O)N1C2CC([C@@H]1CC(N)=O)N(C(=O)CCl)C2

MAK-UNK-ec98eaf6-29
0.217

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O=C(NC12CC3CC(C1)CC(C(=O)O)(C3)C2)c1cncnc1

MAR-TRE-9d18ae8c-31
0.215

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O=C(CCl)Nc1ccc2c(c1)NC(=O)CO2

MAR-TRE-6a44bbf2-95
0.215

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O=C(CCl)NNC(=O)c1cc2c(s1)CCCC2

AAR-POS-d2a4d1df-26
0.213

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O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.213

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O=C(CCl)N1CCC(N2CCN(C(=O)CCl)CC2)CC1

WAR-XCH-b0339bbe-18
0.212

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COc1cc(NC(=O)CCl)cc(OC)c1OC

MAR-TRE-6a44bbf2-88
0.212

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N#Cc1nc(NC(=O)CCl)cc(NC(=O)CCl)n1

MAK-UNK-72659d64-10
0.212

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.208

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Cc1cc(CNC(=O)CCl)cc(C)c1O

MAK-UNK-f983951f-11
0.208

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O=C(CCl)Nc1ccc2c(c1)OCCO2

MAR-TRE-6a44bbf2-74
0.207

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N#CC1=NC=CC1CNC(=O)CCl

YOI-UNK-4c10088f-2
0.207

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O=C(CCl)Nc1ccc2c(c1)OC1(CCCC1)O2

MAR-TRE-6a44bbf2-84
0.206

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O=C(CCl)NCc1cn(F)nn1

SAD-SAT-1b030f84-2
0.204

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N#CC(c1ncncc1NC(=O)CCl)C1CC1F

YOI-UNK-144e4c15-2
0.200

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N#CC12CC3CC(CC(C3)C1)C2

MAK-UNK-be3f299e-8
0.200

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O=C(CCl)Nc1ccc2c(c1)OCCCO2

MAR-TRE-6a44bbf2-17
0.200

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O=C(CCl)Nc1ccc2c(c1)OC1(CCCCC1)O2

MAR-TRE-6a44bbf2-35
0.200

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

SAD-SAT-1b030f84-9
0.200

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.200

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CC(NC(=O)CCl)C1=CC(Cl)=CC2CSCC12

DAV-CRI-eab5efcb-8
0.197

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CC(NC(=O)CCl)C1=CC(Cl)=CC2CCCC12

DAV-CRI-eab5efcb-2
0.197

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O=C(CCl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1

MAR-TRE-6a44bbf2-89
0.197

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N#Cc1nc(CNC(=O)CCl)cc(CNC(=O)CCl)n1

MAK-UNK-72659d64-12
0.196

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.196

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.195

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.195

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N#CCc1nc(C2CO2)ncc1NC(=O)CCl

YOI-UNK-144e4c15-1
0.194

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O=C(CCl)NC1CCOc2ccccc21

MAT-POS-162a9720-6
0.194

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C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2

VLA-UNK-c3e99b7a-9
0.194

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O=C(CCl)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-45
0.193

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CC(=O)C(Cc1ccccc1)NC(=O)CCl

MAK-UNK-f983951f-22
0.193

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O=C(CCl)N1CCN(S(=O)(=O)C2CCCCC2)CC1

DRR-IMP-11d47bff-1
0.193

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.191

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.191

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Cc1ccc(C(=O)N2CC3CC2CN3C(=O)CCl)cc1

MAK-UNK-3f402c2b-4
0.190

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O=C(CCl)NC[C@@H]1COc2ccccc2O1

MAR-TRE-6a44bbf2-91
0.190

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.190

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N#Cc1c(NC(=O)CCl)sc2c1CCCC2

PRO-INS-c91ddbbd-1
0.190

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O=C(CCl)CNC(=O)CC(=O)NC1CCCCC1

GIA-UNK-3f36037a-3
0.190

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CNC(=O)NS(=O)(=O)N1CCN(C(=O)CCl)CC1

SWA-SYN-6423ea73-5
0.190

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O=C(CCl)Nc1cc2c(cc1Br)OCCO2

MAR-TRE-6a44bbf2-51
0.190

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CNC(=O)NS(=O)(=O)N1CCN(C(=O)CCl)CC1

SWA-SYN-d2e6fa14-5
0.190

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N#CC1CN(C(=O)CCl)CS1

SAD-SAT-6b5a89f0-5
0.189

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

MAK-UNK-750cfbcc-2
0.189

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O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.189

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Cc1ccc(S(=O)(=O)NC(=O)CCl)cc1

SAD-SAT-65574d3f-4
0.189

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Cc1ccc(S(=O)(=O)NC(=O)CCl)cc1

MAR-TRE-6a44bbf2-48
0.189

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CC(NC(=O)CCl)C1=CC(Cl)=CC2CCNC12

DAV-CRI-eab5efcb-3
0.188

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N#S1=CC(NC(=O)CCl)=CC(C(=O)N2CCSCC2)=C1

ASH-SAT-43770c7d-1
0.188

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.188

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O=C(NC12CC3CC(CN(C3)C1)C2)C1CCOc2ccc(Cl)cc21

MIC-UNK-b12b7f76-1
0.188

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O=C(CCl)N1CC2CC1CN2C(=O)c1cccs1

MAK-UNK-3f402c2b-25
0.188

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O=C(CCl)NC1CCCc2ccc(Cl)cc21

IND-SYN-6c8299e8-10
0.188

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N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.188

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.188

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O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1

MAR-TRE-6a44bbf2-90
0.186

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.186

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.186

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O=C(CCl)Nc1cccc(S(=O)(=O)N2CCSCC2)c1

IND-SYN-6c8299e8-9
0.186

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N#Cc1ncc(NC(=O)CCl)cn1

MAK-UNK-72659d64-3
0.185

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O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.185

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NC(=O)C1CCN(C(=O)CCl)CS1

MAK-UNK-704ed37c-17
0.185

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CCc1nc(C2C(F)C2F)ncc1NC(=O)CCl

YOI-UNK-97f54f0c-1
0.185

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O=C(CCl)N1CCN(S(=O)(=O)C2CSCC(CCl)S2)CC1

SAD-SAT-bc31ec01-3
0.185

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NC(=O)C1CC2(CC3CC2N(C(=O)CCl)C3)CC1c1ccccc1

MAK-UNK-ec98eaf6-12
0.184

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O=C(c1ccc[nH]1)N1CC2CC3CN(C(=O)CCl)C2(C3)C1

MAK-UNK-5d2caa6f-10
0.184

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O=C(CCl)N1C=CCS1(=O)=O

MAK-UNK-6c8f5f75-6
0.184

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.184

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CC1CN(C(=O)CCl)C(C)O1

SAD-SAT-d8079f6f-1
0.184

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CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CCl

MAR-TRE-6a44bbf2-11
0.183

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O=C(CCl)N1CC2CC1CN2C1(c2ccccc2)CCCCC1

MAK-UNK-5d2caa6f-12
0.183

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O=C(CCl)N1CC2CC1CN2Cc1ccsc1

MAK-UNK-3f402c2b-22
0.182

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O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20
0.182

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N#Cc1nc(NC(=O)CCl)c(NC(=O)CCl)c(NC(=O)CCl)n1

MAK-UNK-72659d64-17
0.182

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O=C(CCl)Nc1cccc(N2CCCC2=O)c1

LON-WEI-8f408cad-1
0.182

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Discussion:

Contributor: Maksym Voznyy - Fri, 22 May 2020 22:52:10 +0000