Molecule Details

MAK-UNK-4b073b5c-14 View Submission
O=C(CCl)N1C=CCC1=O
Molecular Properties
SMILES:
O=C(CCl)N1C=CCC1=O
MW: 159.01
Fraction sp3: 0.33
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 37.38
cLogP: 0.5
Covalent Warhead: ✔️
Covalent Fragment: ✔️

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

LON-WEI-8f408cad-3

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

ASH-UNK-e28bb067-8
0.395

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.333

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.333

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

SAD-SAT-edc8a235-10
0.318

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

MAK-UNK-6c8f5f75-6
0.318

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.308

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.308

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

SAD-SAT-1b030f84-9
0.297

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.297

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.295

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.295

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.289

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.289

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.289

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

AAA-OOO-6ef70637-1
0.286

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.282

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.279

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O=C(CCl)N1C=CC=NC1

SAD-SAT-edc8a235-8
0.277

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.273

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.269

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

MAK-UNK-95198336-11
0.262

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.262

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.262

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Cc1ccc(Cl)cc1CN1CCN(C(=O)CCl)C(=O)C1

ASH-SAT-43770c7d-4
0.262

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

MAK-UNK-987948f6-5
0.261

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.261

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

MAK-UNK-6c8f5f75-3
0.260

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

SAD-SAT-6b5a89f0-3
0.260

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

MAK-UNK-7c9d1431-29
0.259

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

DRR-IMP-db50bf6e-3
0.259

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CC(=O)Nc1cccc(N2C=CCC2=O)c1

MAK-UNK-7a704a63-1
0.259

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

AAR-POS-0daf6b7e-21
0.256

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.256

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

MAK-UNK-95198336-10
0.255

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

MAK-UNK-704ed37c-12
0.255

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

MAK-UNK-6c8f5f75-5
0.255

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O=C(CCl)N1CCN(S(=O)(=O)C2=C(Cl)CC=C2)CC1

SAD-SAT-3a925b8b-6
0.254

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

SAD-SAT-3a925b8b-1
0.250

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O=C(CCl)N1CC2CC1CN2S(=O)(=O)C1=CC[SH]=C1

SAD-SAT-3a925b8b-8
0.250

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O=C(CCl)N1CCN2CN(c3cc(Cl)cc(Cl)c3)CC2C1

HYO-UNK-1819783d-1
0.250

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O=C(CCl)N1CCN(c2ccccc2F)CC1

SAD-SAT-5b1897b2-10
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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NC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-704ed37c-11
0.250

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

SAD-SAT-bc31ec01-2
0.250

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

SAD-SAT-1b030f84-5
0.250

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

DRR-IMP-dff87f5e-5
0.246

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

MAR-TRE-6a44bbf2-8
0.246

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

AAR-POS-d2a4d1df-34
0.246

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O=C(CCl)N1CCN(c2cnccn2)CC1

SAD-SAT-5b1897b2-1
0.246

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

TOB-UNK-c2aba166-1
0.245

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.244

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.244

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.244

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O=C(CCl)N1CCN(Cc2cccc(F)c2)C(=O)C1

BEN-DND-76ad4ac9-3
0.242

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Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1C

ASH-SAT-43770c7d-10
0.241

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

DRR-IMP-dff87f5e-3
0.241

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

AAR-POS-d2a4d1df-44
0.241

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.241

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.241

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O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.241

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

DRR-IMP-38dce17f-3
0.241

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.241

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

MAK-UNK-987948f6-2
0.241

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O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.240

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.240

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

MAK-UNK-704ed37c-16
0.240

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

MAK-UNK-95198336-9
0.239

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.239

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O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1ccc(Cl)cc1

MAK-UNK-3f402c2b-15
0.238

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

MAK-UNK-d4768348-1
0.237

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

SAD-SAT-3a925b8b-2
0.237

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

NIM-UNI-43fe0159-3
0.237

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

SAD-SAT-3a925b8b-9
0.237

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O=C(CCl)N1CCN(Oc2ccsc2)CC1

MAK-UNK-212f693e-9
0.237

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

NIM-UNI-310206f0-6
0.237

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

MAT-POS-162a9720-4
0.236

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

MAK-UNK-6c8f5f75-4
0.235

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O=C(CCl)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1

KAT-UNK-b2a0d5b1-1
0.234

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

SAD-SAT-d8079f6f-1
0.234

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

MAK-UNK-6ca90168-16
0.234

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.234

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O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

AAR-POS-d2a4d1df-32
0.233

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Nc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-1
0.233

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CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-13
0.233

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

MAK-UNK-6ca90168-4
0.233

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

SAD-SAT-3a925b8b-3
0.233

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O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

LON-WEI-8f408cad-2
0.233

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O=C(Cc1cccc(Cl)c1)N1Cc2ccccc2C1

NAM-UNK-f7c77a48-3
0.233

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CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-78
0.233

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O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

MAR-TRE-6a44bbf2-4
0.233

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

MAK-UNK-d4768348-2
0.233

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O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

MAK-UNK-7c9d1431-12
0.233

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

NIM-UNI-43fe0159-5
0.233

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

SAD-SAT-3a925b8b-4
0.232

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

SAD-SAT-3a925b8b-5
0.232

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O=C(CCl)N1CCN(Cc2ccncc2)CC1

DRR-IMP-38dce17f-6
0.232

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O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

PAU-UNI-8cdd41c7-1
0.232

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

SIM-SYN-f15aaa3a-1
0.232

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

AAR-POS-d2a4d1df-29
0.232

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Discussion:

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