Molecule Details

SAD-SAT-d8079f6f-1 View Submission
CC1CN(C(=O)CCl)C(C)O1
Molecular Properties
SMILES:
CC1CN(C(=O)CCl)C(C)O1
MW: 177.06
Fraction sp3: 0.86
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 29.54
cLogP: 0.82
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine BB: BBV-39739939

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

LON-WEI-8f408cad-3

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.356

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CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.356

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.340

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

ASH-UNK-e28bb067-9
0.333

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.333

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

SAD-SAT-1b030f84-9
0.333

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.324

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

AAR-POS-0daf6b7e-21
0.317

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.316

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

MAK-UNK-95198336-10
0.311

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.308

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CC1CN(Cc2ccc(Br)s2)CCN1C(=O)CCl

JOH-UNI-27ac80fd-29
0.306

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

SAD-SAT-5b1897b2-9
0.304

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.302

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.297

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

MAK-UNK-95198336-9
0.295

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.289

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.289

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

MAK-UNK-987948f6-5
0.289

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O=C(CCl)N1CCCC2CCCCC21

MAK-UNK-f983951f-12
0.288

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

VIK-SYN-9a3d118a-1
0.286

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

SAD-SAT-6b5a89f0-4
0.286

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

MAK-UNK-704ed37c-12
0.283

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C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAR-TRE-6a44bbf2-66
0.281

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CC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAK-UNK-750cfbcc-4
0.281

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CC(=O)N1C2CC([C@@H]1CC(N)=O)N(C(=O)CCl)C2

MAK-UNK-ec98eaf6-29
0.281

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.279

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

MAK-UNK-704ed37c-11
0.279

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O=C(CCl)N1CC2CC1C(c1ccc(F)cc1)O2

MAK-UNK-3f402c2b-10
0.279

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

MAK-UNK-987948f6-4
0.277

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CC(C)N(C)C(=O)C1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-28
0.276

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.275

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.273

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.273

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.273

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O=C(CCl)N1CC2CC1CN2C(=O)c1ccco1

MAK-UNK-3f402c2b-7
0.271

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Cc1ccc(C(=O)N2CC3CC2CN3C(=O)CCl)cc1

MAK-UNK-3f402c2b-4
0.271

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

DAN-PUR-3907f623-1
0.268

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.267

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.267

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CC1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl

MED-COV-4280ac29-13
0.266

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

VIK-SYN-bf9c9ac8-1
0.265

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.265

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

SAD-SAT-edc8a235-7
0.265

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

YOI-UNK-15f562e8-4
0.265

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

VIK-SYN-bf9c9ac8-2
0.265

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

MAK-UNK-704ed37c-16
0.265

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C[C@@H]1CN(C2CNc3cc(F)ccc32)CCN1C(=O)CCl

CHR-MCD-2f2b3cc8-1
0.264

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COc1ccc(N2CC3CC2CN3C(=O)CCl)cc1

MAK-UNK-3f402c2b-27
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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O=C(CCl)N1C[S+]([O-])C1

MAK-UNK-95198336-11
0.262

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CS(=O)(=O)N1C2CC(C1c1ccccc1)N(C(=O)CCl)C2

MAK-UNK-df1a028e-7
0.262

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O=C(CCl)N1CC2CC1CN2Cc1cc(O)cc(F)c1

SAD-SAT-581007d4-9
0.262

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.261

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.261

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

MAK-UNK-6ca90168-16
0.261

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

SAD-SAT-6b5a89f0-5
0.260

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

MAK-UNK-750cfbcc-2
0.260

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

MAK-UNK-6c8f5f75-3
0.260

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CC(=O)[C@@H]1CN(C(=O)CCl)C[C@H](CC(N)=O)N1C(C)=O

DAN-PUR-3907f623-2
0.259

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CC(=O)[C@@H]1C2C[C@@](CC(N)=O)(CN2C(=O)CCl)N1C(C)=O

MAK-UNK-ec98eaf6-31
0.258

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.256

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

MAK-UNK-6ca90168-17
0.255

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

MAK-UNK-6ca90168-18
0.255

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

MAK-UNK-750cfbcc-1
0.255

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

MAK-UNK-6c8f5f75-1
0.255

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

MAK-UNK-704ed37c-15
0.255

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O=C(CCl)N1CC2CC1CN2Cc1ccc(Cl)s1

MAK-UNK-3f402c2b-16
0.254

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Cc1ccc(S(=O)(=O)N2CC3CC2CN3C(=O)CCl)cc1

MAK-UNK-3f402c2b-5
0.254

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O=C(CCl)N1CC2CC1CN2Cc1cccs1

MAK-UNK-3f402c2b-26
0.254

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

MAK-UNK-704ed37c-10
0.250

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C[C@H]1CN(c2ccc(CNC(=O)CCl)cc2F)C[C@@H](C)O1

MAR-TRE-6a44bbf2-62
0.250

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O=C(CCl)N1CC2CC1CN2Cc1ccc(Br)s1

MAK-UNK-3f402c2b-21
0.250

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

SAD-SAT-bc31ec01-2
0.250

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

SAD-SAT-1b030f84-8
0.250

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

MAK-UNK-3f402c2b-20
0.250

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

SAD-SAT-65574d3f-6
0.250

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

ASH-UNK-e28bb067-8
0.250

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CCN(CC(C)(C)F)C(=O)C1CCN(C(=O)CCl)CC1C

YOI-UNK-12211982-5
0.246

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N#CC1CN(C(=O)c2ccco2)CCN1C(=O)CCl

MAK-UNK-987948f6-9
0.246

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Cc1cccc(CN2CC3CC2CN3C(=O)CCl)c1

MAK-UNK-3f402c2b-3
0.246

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O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1ccc(Cl)s1

MAK-UNK-3f402c2b-24
0.246

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CN(C(=O)C1CC2CC1CN2C(=O)CCl)c1ccccc1

MAK-UNK-3e0761f8-8
0.246

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CCN(CC(C)(C)F)C(=O)C1CCN(C(=O)CCl)CC1C

YOI-UNK-a533afbc-5
0.246

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CC1CN(C(=O)CCl)CCN1Cc1ccc(Br)s1

JOH-UNI-27ac80fd-28
0.246

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O=C(CCl)N1CC2CC1CN2C(=O)c1cccs1

MAK-UNK-3f402c2b-25
0.246

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O=C(CCl)N1CC2CC1CN2Cc1cc(Cl)cc(Cl)c1

MAK-UNK-df1a028e-8
0.246

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

MAK-UNK-6c8f5f75-2
0.245

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.245

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.244

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COCc1cc(Cl)cc(CN2CC3CC2CN3C(=O)CCl)c1

MAK-UNK-ec98eaf6-14
0.243

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Cc1cc(C)nc(NC2CC3CC2CN3C(=O)CCl)n1

MAK-UNK-ec98eaf6-43
0.242

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CC1CN(C(=O)CCl)CCN1CN1CCCOCC1

JOH-UNI-27ac80fd-8
0.242

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O=C(CCl)N1CC2CC1CN2C(c1ccccc1)c1ccccc1

MAK-UNK-df1a028e-9
0.242

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

SAD-SAT-1b030f84-4
0.241

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

MAK-UNK-704ed37c-13
0.240

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

MAK-UNK-704ed37c-14
0.240

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CS(=O)(=O)NCC(c1ccccc1)N1CC2CC1CN2C(=O)CCl

MAK-UNK-90d0606b-3
0.239

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CC1C2CC(CN2C(=O)CCl)N1C(F)(F)c1cccc(Cl)c1

MAK-UNK-ec98eaf6-18
0.239

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Discussion:

Contributor: Sadit Joarder, SATEC - Sun, 24 May 2020 00:10:34 +0000