Molecule Details

SAD-SAT-6b5a89f0-4 View Submission
N#CC1CN(C(=O)CCl)CO1
Molecular Properties
SMILES:
N#CC1CN(C(=O)CCl)CO1
MW: 174.02
Fraction sp3: 0.67
HBA: 3
HBD: 0
Rotatable Bonds: 1
TPSA: 53.33
cLogP: -0.07
Covalent Warhead: ✔️
Covalent Fragment: ✔️

O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20

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

SAD-SAT-6b5a89f0-7
0.659

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

MAK-UNK-95198336-10
0.455

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

MAK-UNK-95198336-9
0.442

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

SAD-SAT-edc8a235-7
0.396

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

MAK-UNK-6c8f5f75-1
0.391

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

SAD-SAT-6b5a89f0-5
0.388

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.385

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

MAK-UNK-704ed37c-16
0.367

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

MAK-UNK-6c8f5f75-2
0.365

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.356

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

ASH-UNK-e28bb067-9
0.354

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

MAK-UNK-6ca90168-18
0.333

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

MAK-UNK-6c8f5f75-3
0.333

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

MAK-UNK-6ca90168-17
0.333

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.325

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

SAD-SAT-1b030f84-9
0.325

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

SAD-SAT-1b030f84-10
0.317

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.317

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.317

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

NIM-UNI-43fe0159-5
0.317

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

SAD-SAT-6b5a89f0-3
0.308

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

MAK-UNK-6c8f5f75-4
0.308

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

MAK-UNK-750cfbcc-1
0.306

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

MAK-UNK-704ed37c-11
0.304

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.304

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

MAK-UNK-987948f6-9
0.303

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.302

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

NIM-UNI-43fe0159-3
0.300

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.298

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.298

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

NIM-UNI-43fe0159-1
0.295

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

NIM-UNI-43fe0159-4
0.290

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

MAK-UNK-95198336-11
0.289

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.289

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.289

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

NIM-UNI-43fe0159-6
0.286

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O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.286

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

SAD-SAT-d8079f6f-1
0.286

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NCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-2
0.286

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

DRR-IMP-38dce17f-7
0.283

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

MAK-UNK-6ca90168-14
0.283

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

WAR-XCH-b0339bbe-18
0.283

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

AAR-POS-0daf6b7e-21
0.283

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.283

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O=C(CCl)N1CCO[C@@H](c2ccc(F)cc2)C1

MAR-TRE-6a44bbf2-39
0.281

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O=C(CCl)N1CCOC(c2ccc(F)cc2)C1

AAR-POS-d2a4d1df-33
0.281

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.279

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

MAK-UNK-704ed37c-17
0.278

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

MAK-UNK-6c8f5f75-5
0.278

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

NIM-UNI-43fe0159-7
0.277

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

MAR-TRE-6a44bbf2-29
0.277

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CC(=O)Oc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-9
0.277

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

SAD-SAT-bc31ec01-2
0.277

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CN(C)Cc1ccc([C@H]2CN(C(=O)CCl)CCO2)cc1

JOK-SYG-8934678c-1
0.275

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

SAD-SAT-5b1897b2-9
0.275

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.273

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

SAD-SAT-65574d3f-6
0.273

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O=C(CCl)N1CCC(C(=O)N2CCOC2)CC1

MAK-UNK-704ed37c-3
0.271

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.271

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

TOB-UNK-c2aba166-1
0.269

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

MAK-UNK-6ca90168-22
0.269

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CC(=O)Sc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-11
0.269

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

MAK-UNK-704ed37c-2
0.267

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O=C(CCl)N1CCC(C(=O)N2CNOC2)CC1

MAK-UNK-704ed37c-7
0.267

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COc1ccc([C@@H](C#N)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-77
0.266

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

DRR-IMP-dff87f5e-9
0.266

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O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.265

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CC(=O)NCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-8
0.265

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

JOH-UNI-27ac80fd-28
0.265

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

MAK-UNK-704ed37c-14
0.264

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.264

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

SAD-SAT-1b030f84-4
0.262

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

MAK-UNK-987948f6-3
0.262

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CC(=O)OCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-10
0.261

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

SAD-SAT-89668ff1-4
0.260

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

SAD-SAT-edc8a235-10
0.260

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

MAK-UNK-6ca90168-16
0.260

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

MAK-UNK-987948f6-5
0.260

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.260

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.259

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N#Cc1nc(NC(=O)CCl)cc(NC(=O)CCl)n1

MAK-UNK-72659d64-10
0.259

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

MAK-UNK-750cfbcc-2
0.259

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O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1

SAD-SAT-5b1897b2-6
0.259

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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
0.258

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

MAK-UNK-704ed37c-8
0.258

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CC(=O)SCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-12
0.257

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

MAK-UNK-704ed37c-12
0.255

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

MAR-TRE-6a44bbf2-79
0.255

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

MAK-UNK-750cfbcc-3
0.255

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

MAK-UNK-52a1ef4b-3
0.254

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

MAR-TRE-6a44bbf2-92
0.254

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

SAD-SAT-89668ff1-8
0.254

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

MAK-UNK-10dfa458-39
0.254

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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)N1CCC(C(=O)N2CCNO2)CC1

MAK-UNK-704ed37c-5
0.250

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

MAK-UNK-6ca90168-9
0.250

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

MAK-UNK-704ed37c-10
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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N#Cc1ccccc1CN(C1CCC(O)CC1)C1CCN(C(=O)CCl)CC1

WAR-XCH-72a8c209-6
0.247

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N#Cc1cccc(NC2CCN(C(=O)CCl)C2)c1

TAT-ENA-80bfd3e5-10
0.247

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Discussion:

Contributor: Sadit Joarder, SATEC - Thu, 28 May 2020 06:45:53 +0000