Molecule Details

MAK-UNK-4b073b5c-18 View Submission
O=C(CCl)N1CSCO1
Molecular Properties
SMILES:
O=C(CCl)N1CSCO1
MW: 166.98
Fraction sp3: 0.75
HBA: 3
HBD: 0
Rotatable Bonds: 1
TPSA: 29.54
cLogP: 0.65
Covalent Warhead: ✔️
Covalent Fragment: ✔️

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

LON-WEI-8f408cad-3

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.583

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

MAK-UNK-704ed37c-9
0.469

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.441

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.412

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.389

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.375

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

MAK-UNK-95198336-10
0.349

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.341

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.333

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

SAD-SAT-bc31ec01-2
0.317

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

MAK-UNK-704ed37c-15
0.312

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.310

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.306

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

SAD-SAT-1b030f84-9
0.306

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.302

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.297

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.286

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.282

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.279

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.273

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O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.271

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

MAK-UNK-95198336-11
0.268

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.268

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.268

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

MAK-UNK-704ed37c-6
0.268

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.267

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

SAD-SAT-edc8a235-10
0.267

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

SAD-SAT-d8079f6f-1
0.267

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

SAD-SAT-6b5a89f0-5
0.265

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.265

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.262

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

AAR-POS-0daf6b7e-21
0.262

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

MAK-UNK-704ed37c-17
0.260

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

MAK-UNK-704ed37c-11
0.256

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

MAK-UNK-704ed37c-4
0.255

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

MAK-UNK-704ed37c-2
0.250

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.250

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.250

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

SAD-SAT-65574d3f-7
0.250

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

TOB-UNK-c2aba166-1
0.250

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O=C(CCl)N1CCN(Cc2cscc2Cl)CC1

SAD-SAT-bc31ec01-1
0.246

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O=C(CCl)N1CCN(Cc2cccs2)CC1

AAR-POS-0daf6b7e-17
0.246

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O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5
0.246

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

AAR-POS-0daf6b7e-2
0.246

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.245

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

MAK-UNK-704ed37c-16
0.245

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

MAK-UNK-95198336-9
0.244

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

MAK-UNK-704ed37c-8
0.241

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

AAR-POS-0daf6b7e-12
0.241

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

JOH-UNI-27ac80fd-23
0.241

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

SAD-SAT-6b5a89f0-4
0.240

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

MAK-UNK-987948f6-5
0.239

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

MAK-UNK-6ca90168-16
0.239

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.239

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

MAK-UNK-6c8f5f75-6
0.239

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

MAK-UNK-52a1ef4b-2
0.236

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

MAK-UNK-6ca90168-17
0.234

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

MAK-UNK-6ca90168-18
0.234

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

MAK-UNK-750cfbcc-1
0.234

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

MAK-UNK-6c8f5f75-1
0.234

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

MAK-UNK-704ed37c-12
0.234

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

SAD-SAT-5b1897b2-2
0.233

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O=C(CCl)N1CCC(Oc2ccsc2)CC1

MAK-UNK-212f693e-10
0.233

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

AAA-OOO-6ef70637-1
0.233

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

MAK-UNK-704ed37c-5
0.232

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

SAD-SAT-65574d3f-6
0.231

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

SAD-SAT-5b1897b2-9
0.229

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

ASH-UNK-e28bb067-9
0.229

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

MAK-UNK-987948f6-4
0.229

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O=C(CCl)N1C=CC=NC1

SAD-SAT-edc8a235-8
0.229

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

SAD-SAT-1b030f84-8
0.229

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

ASH-UNK-e28bb067-8
0.229

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

MAK-UNK-704ed37c-10
0.229

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.228

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.228

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.228

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.226

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

SAD-SAT-bc31ec01-3
0.226

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CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.224

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.224

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

MAK-UNK-e4a48a85-14
0.224

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O=C(CCl)N1CCN(Cc2ccco2)CC1

MAK-UNK-7c9d1431-28
0.224

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O=C(CCl)N1CCC(Oc2ccsc2)NC1

MAK-UNK-212f693e-11
0.222

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

DRR-IMP-38dce17f-3
0.222

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.222

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O=C(CCl)N1CCCC2CCCCC21

MAK-UNK-f983951f-12
0.222

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Cc1ccc(CN2CCN(C(=O)CCl)CC2)o1

MAR-LAB-ca4662a6-2
0.220

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O=C(CCl)N1CCN(Oc2ccsc2)CC1

MAK-UNK-212f693e-9
0.220

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O=C(CCl)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-4
0.220

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

VIK-SYN-bf9c9ac8-1
0.220

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

VIK-SYN-bf9c9ac8-2
0.220

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

YOI-UNK-15f562e8-4
0.220

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

MAK-UNK-704ed37c-14
0.220

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

SAD-SAT-edc8a235-7
0.220

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

MAK-UNK-704ed37c-13
0.220

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N#Cc1ccsc1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-1
0.219

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O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAK-UNK-7c9d1431-14
0.219

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

MAK-UNK-7c9d1431-29
0.218

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CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-56
0.218

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CC(C)[C@@H]1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl

DAN-LON-a5fc619e-4
0.217

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Discussion:

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