Molecule Details

MAK-UNK-95198336-10 View Submission
N#CC1CN(C(=O)CCl)O1
Molecular Properties
SMILES:
N#CC1CN(C(=O)CCl)O1
MW: 160.0
Fraction sp3: 0.6
HBA: 3
HBD: 0
Rotatable Bonds: 1
TPSA: 53.33
cLogP: -0.11
Covalent Warhead: ✔️
Covalent Fragment: ✔️

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

LON-WEI-8f408cad-3

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

SAD-SAT-6b5a89f0-4
0.455

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

MAK-UNK-95198336-9
0.415

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

ASH-UNK-e28bb067-9
0.386

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.378

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

SAD-SAT-edc8a235-7
0.370

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.368

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

MAK-UNK-6c8f5f75-1
0.364

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

SAD-SAT-6b5a89f0-5
0.362

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

MAK-UNK-6c8f5f75-3
0.362

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

MAK-UNK-6c8f5f75-4
0.362

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.357

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O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.349

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.341

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

MAK-UNK-6c8f5f75-2
0.340

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CCC(=O)N1COC(C#N)C1

SAD-SAT-6b5a89f0-7
0.333

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.316

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

SAD-SAT-d8079f6f-1
0.311

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

MAK-UNK-6ca90168-17
0.304

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

MAK-UNK-6ca90168-18
0.304

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

MAK-UNK-704ed37c-15
0.300

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

MAK-UNK-6c8f5f75-5
0.300

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O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.295

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O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.295

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

SAD-SAT-1b030f84-9
0.289

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.289

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.282

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.282

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

MAK-UNK-987948f6-9
0.281

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

SAD-SAT-6b5a89f0-3
0.280

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

MAK-UNK-750cfbcc-1
0.277

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.273

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.268

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.267

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.267

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.267

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CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.265

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

MAK-UNK-704ed37c-2
0.263

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.261

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O=C(CCl)N1C=CSC1

MAK-UNK-4b073b5c-20
0.261

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

MAK-UNK-704ed37c-16
0.260

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.260

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N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

DRR-IMP-38dce17f-7
0.259

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N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.259

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N#CC1CC(Nc2ccc(S(N)(=O)=O)cc2)CN(C(=O)CCl)C1

SAD-SAT-89668ff1-4
0.257

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.256

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.256

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

MAK-UNK-95198336-11
0.256

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O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.255

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

SAD-SAT-edc8a235-10
0.255

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.255

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

MAK-UNK-6c8f5f75-6
0.255

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

MAK-UNK-987948f6-5
0.255

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.255

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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
0.254

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N#CC1CN(C(=O)Cn2cccn2)CCO1

SAD-SAT-1b030f84-10
0.254

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

MAK-UNK-6ca90168-6
0.254

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

AAR-POS-0daf6b7e-21
0.250

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

SAD-SAT-89668ff1-8
0.250

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.250

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

MAK-UNK-704ed37c-17
0.250

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N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.250

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

MAK-UNK-704ed37c-5
0.246

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

SAD-SAT-65574d3f-6
0.245

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

MAK-UNK-987948f6-4
0.245

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

SAD-SAT-5b1897b2-9
0.245

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

MAK-UNK-704ed37c-11
0.244

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

SAD-SAT-bc31ec01-2
0.244

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N#CCC1CN(C(=O)c2ccco2)CCN1C(=O)CCl

MAK-UNK-987948f6-8
0.243

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O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.241

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

TOB-UNK-c2aba166-1
0.240

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CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.240

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O=C(CCl)N1CCN(Cc2cccs2)CC1

AAR-POS-0daf6b7e-17
0.237

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N#Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-987948f6-3
0.237

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

MAK-UNK-704ed37c-6
0.237

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

SAD-SAT-1b030f84-4
0.237

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O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5
0.237

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N#Cc1ccc(/C=C/C2=CC(N3CCN(C(=O)CCl)CC3)OC2=O)cc1

FAB-NA_-a03f4448-1
0.237

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N#Cc1ccc(/C=C/C2=CC(N3CCN(C(=O)CCl)CC3)OC2=O)cc1

FAB-UNK-03d90bbc-1
0.237

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N#Cc1ccc(/C=C/C2=CC(N3CCN(C(=O)CCl)CC3)OC2=O)cc1

FAB-UNK-7ad5ab26-1
0.237

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N#CC1(NC(=O)CCl)CCCCC1

MAK-UNK-f983951f-14
0.235

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N#CC1(NC(=O)CCl)CCCCCC1

MAK-UNK-f983951f-15
0.235

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

MAK-UNK-704ed37c-14
0.235

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N#Cc1ccc(/C=C/C2=CC(N3CC4CC3CN4C(=O)CCl)OC2=O)cc1

MAK-UNK-90d0606b-4
0.235

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Cc1nc(C#N)c(N2CCN(C(=O)CCl)CC2)o1

MAR-TRE-6a44bbf2-29
0.234

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

MAK-UNK-ec98eaf6-31
0.234

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

MAK-UNK-704ed37c-9
0.233

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

MAK-UNK-704ed37c-8
0.233

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O=C(CCl)N1CC2CC1CN2Cc1cccs1

MAK-UNK-3f402c2b-26
0.231

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

MAK-UNK-750cfbcc-2
0.231

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N#CC(CCc1ccccc1)N1CCN(C(=O)CCl)CC1

MAK-UNK-10dfa458-39
0.231

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

WAR-XCH-b0339bbe-18
0.231

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COC(=O)[C@H]1CN(C(=O)CCl)c2ccccc2O1

MAR-TRE-6a44bbf2-75
0.231

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N#C[C@H](c1ccccc1)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-92
0.230

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

NIM-UNI-43fe0159-5
0.230

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N#CC1(NC(=O)CCl)CCC1

MAK-UNK-f983951f-17
0.229

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

MAK-UNK-6ca90168-16
0.229

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

SAD-SAT-3a925b8b-5
0.228

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N#CC(c1ccsc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-22
0.227

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O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAK-UNK-750cfbcc-3
0.226

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O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAR-TRE-6a44bbf2-79
0.226

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Discussion:

Contributor: Maksym Voznyy - Thu, 21 May 2020 23:43:53 +0000