Molecule Details

MAK-UNK-95198336-6 View Submission
O=C(CCl)N1CSC1
Molecular Properties
SMILES:
O=C(CCl)N1CSC1
MW: 150.99
Fraction sp3: 0.75
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 20.31
cLogP: 0.72
Covalent Warhead: ✔️
Covalent Fragment: ✔️

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

LON-WEI-8f408cad-3

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.567

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.500

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

SAD-SAT-1b030f84-9
0.500

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.481

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.481

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.448

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

SAD-SAT-bc31ec01-2
0.438

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.419

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

MAK-UNK-95198336-11
0.419

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.419

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.412

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

AAR-POS-0daf6b7e-21
0.406

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.406

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.400

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O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.395

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.394

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

MAK-UNK-704ed37c-11
0.394

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

MAK-UNK-704ed37c-4
0.386

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

SAD-SAT-6b5a89f0-5
0.385

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.382

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.382

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C=CC(=O)N1CSC1

SAD-SAT-edc8a235-6
0.379

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

MAK-UNK-704ed37c-17
0.375

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

MAK-UNK-95198336-9
0.371

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.371

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.367

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

MAK-UNK-987948f6-5
0.361

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

MAK-UNK-6ca90168-16
0.361

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

SAD-SAT-edc8a235-10
0.361

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.355

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

MAK-UNK-6ca90168-18
0.351

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

MAK-UNK-6ca90168-17
0.351

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

MAK-UNK-704ed37c-12
0.351

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

MAK-UNK-750cfbcc-1
0.351

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

MAK-UNK-6c8f5f75-1
0.351

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

MAK-UNK-987948f6-4
0.342

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

MAK-UNK-704ed37c-10
0.342

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

SAD-SAT-5b1897b2-9
0.342

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

SAD-SAT-1b030f84-8
0.342

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

TOB-UNK-c2aba166-1
0.333

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

MAK-UNK-704ed37c-9
0.333

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O=C(CCl)N1CCN(C(=O)c2ccsc2)CC1

MAK-UNK-6ca90168-20
0.333

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

MAK-UNK-52a1ef4b-2
0.333

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O=C(C(=O)N1CSCN(C(=O)CCl)C1)c1cccc(Cl)c1

SAD-SAT-1b030f84-6
0.327

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

YOI-UNK-15f562e8-4
0.325

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

VIK-SYN-bf9c9ac8-2
0.325

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.325

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

VIK-SYN-bf9c9ac8-1
0.325

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

SAD-SAT-edc8a235-7
0.325

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O=C(CCl)N1CCN(C(=O)N2CCCCCC2)CC1

MAK-UNK-704ed37c-13
0.325

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

MAK-UNK-704ed37c-14
0.325

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

MAK-UNK-704ed37c-16
0.325

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

MAK-UNK-987948f6-2
0.318

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

VIK-SYN-9a3d118a-1
0.317

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

WAR-XCH-b0339bbe-18
0.317

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

MAK-UNK-750cfbcc-2
0.317

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

SAD-SAT-6b5a89f0-3
0.317

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

SAD-SAT-6b5a89f0-4
0.317

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O=C(CCl)N1CCN(C(=O)c2ccc(Cl)cc2)CC1

DRR-IMP-db50bf6e-3
0.311

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

MAR-TRE-6a44bbf2-79
0.310

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O=C(CCl)N1CCN(C(=O)n2cccc2)CC1

MAK-UNK-52a1ef4b-1
0.310

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

MAK-UNK-750cfbcc-3
0.310

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

SAD-SAT-bc31ec01-3
0.308

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

LON-WEI-8f408cad-3
0.306

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

AAR-POS-d2a4d1df-22
0.306

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

MAR-TRE-6a44bbf2-52
0.306

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-15
0.306

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.306

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.306

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.306

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

AHN-SAT-de2502ba-8
0.304

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O=C(CCl)N1CCN(C(=O)c2ccc(F)cc2)CC1

DRR-IMP-db50bf6e-1
0.304

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

AAR-POS-d2a4d1df-25
0.304

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O=C(CCl)N1CCN(C(=O)c2ccoc2)CC1

SAD-SAT-3a925b8b-5
0.304

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

SAD-SAT-65574d3f-6
0.302

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1

NIM-UNI-05f93fcc-1
0.300

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

AAR-POS-0daf6b7e-16
0.298

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O=C(CCl)N1CCN(C(=O)c2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-25
0.298

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O=C(CCl)N1CCN(C(=O)c2cscc2Cl)CC1

SAD-SAT-1b030f84-5
0.298

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.297

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

AAR-POS-0daf6b7e-9
0.295

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.295

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

MAK-UNK-750cfbcc-5
0.295

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

VIR-GIT-7b3d3065-2
0.295

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

MAK-UNK-6c8f5f75-2
0.295

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.292

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.292

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.292

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.289

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.289

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

MAK-UNK-6c8f5f75-6
0.289

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

SAD-SAT-d8079f6f-1
0.289

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.289

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.289

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O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.289

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

DRR-IMP-38dce17f-3
0.289

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.289

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O=C(CCl)N1CCC(S(=O)(=O)c2cccs2)CC1

MAK-UNK-987948f6-15
0.288

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CN(CN1CCC(O)CC1)CN1CCN(C(=O)CCl)CC1

MAK-UNK-e4a48a85-14
0.286

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O=C(CCl)N1CCN(C(=O)c2cccc(Cl)c2)CC1

MAK-UNK-6ca90168-15
0.286

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Discussion:

Contributor: Maksym Voznyy - Thu, 21 May 2020 23:43:53 +0000