Molecule Details

MAK-UNK-4b073b5c-15 View Submission
O=C(CCl)N1C=CCC1
Molecular Properties
SMILES:
O=C(CCl)N1C=CCC1
MW: 145.03
Fraction sp3: 0.5
HBA: 1
HBD: 0
Rotatable Bonds: 1
TPSA: 20.31
cLogP: 0.97
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine BB: BBV-38418874

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

LON-WEI-8f408cad-3

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.375

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.375

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

MAK-UNK-6c8f5f75-3
0.356

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

SAD-SAT-1b030f84-9
0.353

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.353

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.350

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O=C(CCl)N1C=CC=NC1

SAD-SAT-edc8a235-8
0.349

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.333

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.333

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.333

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

MAK-UNK-6c8f5f75-6
0.333

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.324

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

MAK-UNK-987948f6-4
0.318

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.317

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

MAK-UNK-52a1ef4b-3
0.314

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

MAK-UNK-95198336-11
0.308

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.308

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.308

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.306

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.306

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.306

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

MAK-UNK-987948f6-5
0.302

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

AAR-POS-0daf6b7e-21
0.300

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.300

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

MAK-UNK-95198336-10
0.295

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.293

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

MAK-UNK-704ed37c-11
0.293

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

SAD-SAT-bc31ec01-2
0.293

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

MAK-UNK-52a1ef4b-1
0.292

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.289

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

ASH-UNK-e28bb067-9
0.289

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

MAK-UNK-52a1ef4b-2
0.288

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.286

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.286

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.286

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CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.283

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

MAK-UNK-6c8f5f75-2
0.280

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

MAK-UNK-95198336-9
0.279

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.277

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

SAD-SAT-edc8a235-7
0.277

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

MAK-UNK-704ed37c-16
0.277

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

SAD-SAT-d8079f6f-1
0.273

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

MAK-UNK-6ca90168-16
0.273

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

MAK-UNK-6c8f5f75-4
0.271

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

MAT-POS-162a9720-4
0.269

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

MAK-UNK-7c9d1431-29
0.269

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

DRR-IMP-db50bf6e-3
0.269

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

AAA-OOO-6ef70637-1
0.268

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

MAK-UNK-6ca90168-18
0.267

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

MAK-UNK-6ca90168-17
0.267

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

MAK-UNK-704ed37c-12
0.267

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

MAK-UNK-750cfbcc-1
0.267

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

MAK-UNK-6c8f5f75-1
0.267

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Cc1ccccc1C(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-4
0.263

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

SAD-SAT-5b1897b2-9
0.261

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

SAD-SAT-1b030f84-8
0.261

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

ASH-UNK-e28bb067-8
0.261

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

MAK-UNK-704ed37c-10
0.261

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

SAD-SAT-65574d3f-6
0.260

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O=C(CCl)N1CCN(c2ccccc2F)CC1

SAD-SAT-5b1897b2-10
0.259

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O=C(C1CC2CC1CN2C(=O)CCl)N1CCCCC1

MAK-UNK-3f402c2b-20
0.259

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.255

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

TOB-UNK-c2aba166-1
0.255

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

DAN-PUR-3907f623-1
0.255

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O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1

DRR-IMP-dff87f5e-5
0.254

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O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1

MAR-TRE-6a44bbf2-8
0.254

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O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1

AAR-POS-d2a4d1df-34
0.254

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CO[C@H]1CN(C(=O)CCl)CCN1Cc1cc(Cl)cc(Cl)c1

PAT-MCD-fb0933e5-1
0.254

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O=C(CCl)N1CCN(Cc2ccccn2)CC1

DRR-IMP-38dce17f-5
0.250

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

ABB-MCD-f8003a30-1
0.250

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

MAK-UNK-e4a48a85-14
0.250

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

YOI-UNK-15f562e8-4
0.250

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.250

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.250

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

DRR-IMP-dff87f5e-3
0.250

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

MAR-TRE-6a44bbf2-32
0.250

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

AAR-POS-d2a4d1df-44
0.250

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

VIK-SYN-bf9c9ac8-2
0.250

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O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.250

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O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.250

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

DRR-IMP-38dce17f-3
0.250

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.250

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

VIK-SYN-bf9c9ac8-1
0.250

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

MAK-UNK-987948f6-2
0.250

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.250

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O=C(CCl)N1CCCC2CCCCC21

MAK-UNK-f983951f-12
0.250

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

MAK-UNK-704ed37c-13
0.250

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

MAK-UNK-704ed37c-14
0.250

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

GIA-UNK-20b63697-1
0.246

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O=C(CCl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1

AHN-SAT-de2502ba-3
0.246

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C=Cc1ccccc1C(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-3
0.246

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O=C(CCl)N1CCC(c2ccc(O)cc2)OC1

NIM-UNI-43fe0159-3
0.246

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O=C(CCl)N1CCN(S(=O)(=O)C2=CCC=C2)CC1

SAD-SAT-3a925b8b-9
0.246

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O=C(CCl)N1CCN(S(=O)(=O)C2=CC[SH]=N2)CC1

MAK-UNK-d4768348-4
0.246

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CN(C)c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1

NIM-UNI-310206f0-6
0.246

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

SAD-SAT-6b5a89f0-4
0.245

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

VIK-SYN-9a3d118a-1
0.245

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

WAR-XCH-b0339bbe-18
0.245

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

MAK-UNK-750cfbcc-2
0.245

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.245

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Discussion:

Contributor: Maksym Voznyy - Fri, 22 May 2020 06:26:43 +0000