Molecule Details

SAD-SAT-edc8a235-8 View Submission
O=C(CCl)N1C=CC=NC1
Molecular Properties
SMILES:
O=C(CCl)N1C=CC=NC1
MW: 158.02
Fraction sp3: 0.33
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 32.67
cLogP: 0.61
Covalent Warhead: ✔️
Covalent Fragment: ✔️

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

LON-WEI-8f408cad-3

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CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.349

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.341

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.341

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.333

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

MAK-UNK-6c8f5f75-3
0.327

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.289

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.282

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

SAD-SAT-1b030f84-9
0.282

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

MAK-UNK-95198336-11
0.279

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.277

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

MAK-UNK-6ca90168-16
0.277

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

MAK-UNK-6c8f5f75-6
0.277

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.275

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.275

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.275

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

MAK-UNK-6c8f5f75-5
0.269

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.268

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

SAD-SAT-bc31ec01-2
0.267

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.262

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.262

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.261

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.261

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

MAK-UNK-95198336-9
0.255

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.255

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O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.255

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O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.255

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.250

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

SAD-SAT-6b5a89f0-3
0.250

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.250

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

MAK-UNK-52a1ef4b-3
0.246

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

MAK-UNK-52a1ef4b-2
0.246

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

MAK-UNK-52a1ef4b-1
0.245

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

AAR-POS-0daf6b7e-21
0.244

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.244

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

AAA-OOO-6ef70637-1
0.244

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

ASH-UNK-e28bb067-8
0.240

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

SAD-SAT-1b030f84-8
0.240

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.239

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

MAK-UNK-704ed37c-11
0.239

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O=C(CCl)N1CCN(c2ccccn2)CC1

SAD-SAT-5b1897b2-3
0.237

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.236

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.234

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.234

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O=C(CCl)N1CCN(Cc2cscc2Cl)CC1

SAD-SAT-bc31ec01-1
0.233

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O=C(CCl)N1C=CC(N(C(=O)CCl)C2C=CS(=O)(=O)C2)=CC1

SEL-UNI-49ab05bd-2
0.232

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

MAK-UNK-704ed37c-14
0.231

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

MAK-UNK-704ed37c-16
0.231

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O=C(CCl)N1CCN(S(=O)(=O)c2ccncc2)CC1

PEI-IMP-ca0b2813-2
0.230

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

MAK-UNK-d4768348-4
0.230

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

NIM-UNI-310206f0-6
0.230

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.229

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3cc(Cl)ccc23)CC1

HYO-UNK-50298ba0-1
0.229

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

DRR-IMP-db50bf6e-3
0.228

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

MAK-UNK-7c9d1431-29
0.228

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

MAK-UNK-6c8f5f75-4
0.226

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

JAY-UNK-11f5bdbd-1
0.226

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

MAK-UNK-d4768348-5
0.226

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COCCc1ccc(Cl)cc1CN1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-37
0.225

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

MAK-UNK-987948f6-5
0.224

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

SAD-SAT-edc8a235-10
0.224

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.224

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

SAD-SAT-d8079f6f-1
0.224

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

SAD-SAT-3a925b8b-4
0.224

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O=C(CCl)N1CCN(Cc2ccncc2)CC1

DRR-IMP-38dce17f-6
0.224

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O=C(CCl)N1CCN(c2c(F)cc(-c3cncnc3)cc2F)CC1

NIM-UNI-310206f0-3
0.224

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O=C(CCl)N1CCN(c2c(F)cc(-c3ccncc3)cc2F)CC1

NIM-UNI-310206f0-1
0.221

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O=C(Nc1ccccc1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-5d2caa6f-20
0.221

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O=C(CCl)N1CCN(c2ccccc2F)CC1

SAD-SAT-5b1897b2-10
0.220

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

SAD-SAT-1b030f84-5
0.220

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

SAD-SAT-3a925b8b-1
0.220

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

MAK-UNK-95198336-10
0.220

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

MAK-UNK-6ca90168-18
0.220

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

MAK-UNK-6ca90168-17
0.220

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

MAK-UNK-704ed37c-12
0.220

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

MAK-UNK-750cfbcc-1
0.220

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

MAK-UNK-6c8f5f75-1
0.220

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O=C(CCl)N1CCN(S(=O)(=O)c2cccnc2)CC1

PEI-IMP-ca0b2813-1
0.219

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

SAD-SAT-65574d3f-6
0.218

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O=C(CCl)N1CCN(c2c(F)cc(NCC3CC3)cc2F)CC1

NIM-UNI-310206f0-8
0.217

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

ASH-SAT-43770c7d-4
0.217

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O=C(Nc1ccc(Cl)cc1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-5d2caa6f-16
0.217

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

MAK-UNK-6ca90168-10
0.217

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O=C(CCl)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1

DRR-IMP-dff87f5e-4
0.217

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O=C(CCl)N1CCN(c2cnccn2)CC1

SAD-SAT-5b1897b2-1
0.217

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O=C(CCl)N1CCN(C(=O)Nc2ccccc2)CC1

AHN-SAT-de2502ba-7
0.217

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3cnccc23)CC1

JOO-PER-58e158bd-1
0.216

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

MAK-UNK-987948f6-4
0.216

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

ASH-UNK-e28bb067-9
0.216

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

MAK-UNK-704ed37c-10
0.216

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

SAD-SAT-5b1897b2-9
0.216

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

MAK-UNK-7c9d1431-10
0.215

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O=C(CCl)N1CCN(S(=O)(=O)C2=C3CC3[SH]=C2)CC1

SAD-SAT-3a925b8b-7
0.215

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O=C(CCl)N1CCN(c2c(F)cc(-c3cn[nH]c3)cc2F)CC1

NIM-UNI-310206f0-4
0.214

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O=C(CCl)N1CCC(C(c2ccccc2)c2ccccc2)CC1

MAK-UNK-6ca90168-11
0.213

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

DRR-IMP-dff87f5e-3
0.213

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

AAR-POS-d2a4d1df-44
0.213

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CS1=NC(CC(=O)N2CCN(C(=O)CCl)CC2)C=C1

SAD-SAT-1b030f84-4
0.213

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O=C(CCl)N1CCN(Cc2ccccn2)CC1

DRR-IMP-38dce17f-5
0.213

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

TOB-UNK-c2aba166-1
0.212

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.212

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Discussion:

Contributor: Sadit Joarder, SATEC - Fri, 22 May 2020 15:33:13 +0000