Molecule Details

SAD-SAT-6b5a89f0-5 View Submission
N#CC1CN(C(=O)CCl)CS1
Molecular Properties
SMILES:
N#CC1CN(C(=O)CCl)CS1
MW: 190.0
Fraction sp3: 0.67
HBA: 3
HBD: 0
Rotatable Bonds: 1
TPSA: 44.1
cLogP: 0.65
Covalent Warhead: ✔️
Covalent Fragment: ✔️

O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20

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

MAK-UNK-95198336-9
0.476

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N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.457

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N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.422

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N#CC1CCCN(C(=O)CCl)C1

MAK-UNK-6c8f5f75-2
0.420

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

SAD-SAT-6b5a89f0-4
0.388

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.385

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

MAK-UNK-704ed37c-17
0.380

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

MAK-UNK-95198336-10
0.362

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.356

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N#CC1CN(C(=O)CCl)C1O

ASH-UNK-e28bb067-9
0.354

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N#CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-17
0.333

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N#CC1C=CN(C(=O)CCl)C1

MAK-UNK-6c8f5f75-3
0.333

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N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.333

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.325

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

SAD-SAT-1b030f84-9
0.325

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.317

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.317

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N#CC1=NCN(C(=O)CCl)C1

SAD-SAT-6b5a89f0-3
0.308

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O=C(CCl)N1CCS(=O)(=O)CC1

SAD-SAT-bc31ec01-2
0.304

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.302

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N#CC1C=CN(C(=O)CCl)S1(=O)=O

MAK-UNK-6c8f5f75-5
0.302

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.298

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C#CCN1CCN(C(=O)CCl)CC1

TOB-UNK-c2aba166-1
0.294

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N#CC(CCc1ccccc1)N1CCN(C(=O)CCl)CC1

MAK-UNK-10dfa458-39
0.292

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O=C(CCl)N1C[S+]([O-])C1

MAK-UNK-95198336-11
0.289

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.289

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.289

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NC(=O)C1CCN(C(=O)CCl)CO1

MAK-UNK-704ed37c-16
0.288

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

DRR-IMP-38dce17f-7
0.283

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

MAK-UNK-6ca90168-14
0.283

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

WAR-XCH-b0339bbe-18
0.283

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N#CC1C=CN(C(=O)CCl)O1

MAK-UNK-6c8f5f75-4
0.283

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.283

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

AAR-POS-0daf6b7e-21
0.283

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

MAK-UNK-750cfbcc-1
0.280

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N#CC1CC(Nc2ccc(S(N)(=O)=O)cc2)CN(C(=O)CCl)C1

SAD-SAT-89668ff1-4
0.278

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.277

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

MAK-UNK-704ed37c-11
0.277

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O=C(CCl)N1CCN(C(=O)C2CC2)CC1

SAD-SAT-5b1897b2-9
0.275

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N#C[C@H](c1ccccc1)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-92
0.274

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NC(=O)C1CCCN(C(=O)CCl)C1

SAD-SAT-65574d3f-6
0.273

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

MAK-UNK-704ed37c-4
0.271

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.271

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N#CC(c1ccsc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-22
0.269

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.268

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COc1ccc([C@@H](C#N)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-77
0.266

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.265

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.265

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N#CC1CN(C(=O)c2ccco2)CCN1C(=O)CCl

MAK-UNK-987948f6-9
0.265

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O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.264

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NC(=O)C1CCN(C(=O)CCl)CN1

MAK-UNK-704ed37c-14
0.264

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N#Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-987948f6-3
0.262

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

MAK-UNK-af83ef51-2
0.262

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N#Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-10dfa458-40
0.261

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.260

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O=C1CN(C(=O)CCl)CN1

SAD-SAT-edc8a235-10
0.260

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

SAD-SAT-d8079f6f-1
0.260

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

MAK-UNK-987948f6-5
0.260

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

MAK-UNK-6ca90168-16
0.260

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CCC(=O)N1COC(C#N)C1

SAD-SAT-6b5a89f0-7
0.259

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

MAK-UNK-750cfbcc-2
0.259

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

DRR-IMP-11d47bff-1
0.259

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O=C(CCl)N1CCC(C(=O)N2CSCO2)CC1

MAK-UNK-704ed37c-9
0.258

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N#Cc1cccc(C2CN(C(=O)CCl)Cc3ccccc32)c1

NIR-THE-c331be7a-2
0.257

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

MAK-UNK-704ed37c-12
0.255

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

MAK-UNK-750cfbcc-3
0.255

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

MAR-TRE-6a44bbf2-79
0.255

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O=C(CCl)N1CCN(C(=O)N2C=CSC2)CC1

MAK-UNK-52a1ef4b-2
0.254

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CC(C#N)C(C(=O)N1CCN(C(=O)CCl)CC1)S(N)(=O)=O

SAD-SAT-89668ff1-8
0.254

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N#Cc1ccsc1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-1
0.254

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O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1

AAR-POS-0daf6b7e-14
0.254

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

SAD-SAT-1b030f84-8
0.250

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

MAK-UNK-987948f6-4
0.250

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O=C(CCl)N1CCN(C(=O)N2CCCC2)CC1

MAK-UNK-704ed37c-10
0.250

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

NIR-THE-0d6461ce-6
0.250

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CCNc1ncc(C#N)cc1NC1CCN(C(=O)CCl)CC1

NIR-THE-0d6461ce-7
0.250

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.250

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N#Cc1ccccc1CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-9
0.250

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CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-4
0.247

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CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

BRU-LEF-ae0885ba-1
0.247

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N#CCC1CN(C(=O)c2ccco2)CCN1C(=O)CCl

MAK-UNK-987948f6-8
0.247

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CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

PAU-UNI-52c0427f-1
0.247

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N#Cc1cccc(NC2CCN(C(=O)CCl)C2)c1

TAT-ENA-80bfd3e5-10
0.247

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Cc1cccc(C2CN(C(=O)CCl)Cc3ccccc32)c1

NIR-THE-c331be7a-6
0.247

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O=C(CCl)N1Cc2ccccc2[C@H](c2cccc(F)c2)C1

DAR-DIA-caba39e3-1
0.247

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O=C(CCl)N1Cc2ccccc2C(C2CCCS2)C1

MIH-UNI-e573136b-11
0.247

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CC1CN(C(=O)CCl)CCN1Cc1ccc(Br)s1

JOH-UNI-27ac80fd-28
0.246

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

DRR-IMP-dff87f5e-9
0.246

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

MAK-UNK-704ed37c-7
0.246

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CC(=O)N1CCN(C(=O)CCl)C[C@@H]1CC(N)=O

DAN-PUR-3907f623-1
0.246

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

MAK-UNK-704ed37c-2
0.246

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

MAK-UNK-750cfbcc-5
0.246

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

VIR-GIT-7b3d3065-2
0.246

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

AAR-POS-0daf6b7e-9
0.246

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.245

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.245

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.245

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.245

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.244

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

VIK-SYN-9a3d118a-8
0.243

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Discussion:

Contributor: Sadit Joarder, SATEC - Thu, 28 May 2020 06:45:53 +0000