Molecule Details

MAK-UNK-95198336-5 View Submission
O=C(CCl)N1CCO1
Molecular Properties
SMILES:
O=C(CCl)N1CCO1
MW: 135.01
Fraction sp3: 0.75
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 29.54
cLogP: 0.0
Covalent Warhead: ✔️
Covalent Fragment: ✔️

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

LON-WEI-8f408cad-3

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.714

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.515

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.483

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NC(=O)C1CCN(C(=O)CCl)OC1

MAK-UNK-704ed37c-15
0.474

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.441

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.429

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

SAD-SAT-1b030f84-9
0.429

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.424

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.414

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.412

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.387

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

MAK-UNK-95198336-10
0.378

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.371

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

MAK-UNK-704ed37c-2
0.370

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.367

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.367

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.364

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.364

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.353

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

AAR-POS-0daf6b7e-21
0.353

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.350

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

MAK-UNK-704ed37c-11
0.343

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

SAD-SAT-bc31ec01-2
0.343

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.341

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.333

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.333

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.333

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

MAK-UNK-95198336-9
0.324

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.324

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.324

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

MAK-UNK-95198336-11
0.324

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

MAK-UNK-704ed37c-16
0.317

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

MAK-UNK-6ca90168-16
0.316

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

SAD-SAT-edc8a235-10
0.316

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

MAK-UNK-987948f6-5
0.316

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

SAD-SAT-d8079f6f-1
0.316

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.316

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

MAK-UNK-6ca90168-17
0.308

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

MAK-UNK-750cfbcc-1
0.308

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

MAK-UNK-6ca90168-18
0.308

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

MAK-UNK-6c8f5f75-1
0.308

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

MAK-UNK-704ed37c-12
0.308

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O=C(CCl)N1CCC(C(=O)N2CNCO2)CC1

MAK-UNK-704ed37c-6
0.306

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

MAK-UNK-987948f6-4
0.300

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

MAK-UNK-704ed37c-10
0.300

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

SAD-SAT-1b030f84-8
0.300

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

SAD-SAT-5b1897b2-9
0.300

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

MAK-UNK-704ed37c-9
0.300

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

SAD-SAT-3a925b8b-5
0.298

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CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.293

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

TOB-UNK-c2aba166-1
0.293

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

SAD-SAT-65574d3f-7
0.293

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O=C(CCl)N1CCC(C(=O)N2CCOC2)CC1

MAK-UNK-704ed37c-3
0.292

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O=C(CCl)N1CCC(C(=O)N2CCNO2)CC1

MAK-UNK-704ed37c-5
0.292

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O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.286

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

SAD-SAT-edc8a235-7
0.286

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

YOI-UNK-15f562e8-4
0.286

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

MAK-UNK-704ed37c-13
0.286

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

MAK-UNK-704ed37c-14
0.286

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

VIK-SYN-bf9c9ac8-2
0.286

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

VIK-SYN-bf9c9ac8-1
0.286

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.282

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

MAK-UNK-6c8f5f75-6
0.282

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O=C(CCl)N1CCN(Cc2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-2
0.280

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

MAK-UNK-750cfbcc-2
0.279

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

SAD-SAT-6b5a89f0-4
0.279

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

WAR-XCH-b0339bbe-18
0.279

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

VIK-SYN-9a3d118a-1
0.279

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O=C(CCl)N1c2ccccc2N(C(=O)CCl)c2ccccc21

AAA-OOO-6ef70637-1
0.278

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O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.277

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

DRR-IMP-db50bf6e-3
0.277

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O=C(CCl)N1CCC(C(=O)N2CONO2)CC1

MAK-UNK-704ed37c-8
0.275

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O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-23
0.275

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O=C(CCl)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-4
0.275

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O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

AAR-POS-0daf6b7e-12
0.275

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

MAK-UNK-52a1ef4b-1
0.273

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

MAK-UNK-704ed37c-17
0.273

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

MAR-TRE-6a44bbf2-79
0.273

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

MAK-UNK-750cfbcc-3
0.273

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O=C(CCl)N1CCN(C2(c3ccc(Br)s3)CCO2)CC1

JOH-UNI-27ac80fd-33
0.273

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

MAK-UNK-52a1ef4b-2
0.271

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O=C(CCl)N1CCN(C(=O)c2cocn2)CC1

SAD-SAT-3a925b8b-4
0.271

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O=C(CCl)N1CCN(C(=O)N2C=COC2)CC1

MAK-UNK-52a1ef4b-3
0.271

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O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

MAR-TRE-6a44bbf2-61
0.271

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O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

AAR-POS-d2a4d1df-29
0.271

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NC1=CN(C(=O)CCl)C(=O)C1

ASH-UNK-e28bb067-8
0.268

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

ASH-UNK-e28bb067-9
0.268

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O=C(CCl)N1C=CC=NC1

SAD-SAT-edc8a235-8
0.268

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

SAD-SAT-65574d3f-6
0.267

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

JOH-UNI-27ac80fd-25
0.265

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Cc1nc(CN2CCN(C(=O)CCl)CC2)cs1

SAD-SAT-5b1897b2-2
0.264

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.262

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

MAK-UNK-750cfbcc-5
0.261

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

MAK-UNK-6c8f5f75-2
0.261

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.261

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

VIR-GIT-7b3d3065-2
0.261

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

AAR-POS-0daf6b7e-9
0.261

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

MAK-UNK-704ed37c-7
0.260

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

JOH-UNI-27ac80fd-30
0.259

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

MAK-UNK-987948f6-2
0.255

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Discussion:

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