Molecular Properties | |
SMILES: | N#CC1CCN(C(=O)CCl)C1 |
MW: | 172.04 |
Fraction sp3: | 0.71 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 44.1 |
cLogP: | 0.6 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | BBV-92703795 |
Mcule: | MCULE-8392063367 |
MAK-UNK-6c8f5f75-2
0.667
MAK-UNK-6c8f5f75-1
0.615
MAK-UNK-95198336-9
0.564
SAD-SAT-6b5a89f0-5
0.457
SAD-SAT-6b5a89f0-4
0.396
SAD-SAT-d8079f6f-4
0.395
MAK-UNK-704ed37c-17
0.388
SAD-SAT-65574d3f-6
0.380
MAK-UNK-95198336-10
0.370
MAK-UNK-750cfbcc-1
0.370
MAK-UNK-6ca90168-17
0.370
MAK-UNK-6ca90168-18
0.370
SAD-SAT-1b030f84-9
0.368
MAK-UNK-95198336-3
0.368
MAK-UNK-750cfbcc-2
0.367
ASH-UNK-e28bb067-9
0.362
MAK-UNK-95198336-4
0.359
MAK-UNK-704ed37c-16
0.347
MAK-UNK-704ed37c-14
0.347
TAT-ENA-80bfd3e5-10
0.343
MAK-UNK-4b073b5c-16
0.341
MAK-UNK-6c8f5f75-3
0.340
SAD-SAT-6b5a89f0-3
0.340
WAR-XCH-b0339bbe-18
0.340
MAK-UNK-4b073b5c-17
0.333
MAR-TRE-6a44bbf2-79
0.333
SAD-SAT-5b1897b2-9
0.333
MAK-UNK-750cfbcc-3
0.333
TOB-UNK-c2aba166-1
0.327
SAD-SAT-d8079f6f-3
0.326
SAD-SAT-d8079f6f-5
0.326
MAK-UNK-95198336-6
0.325
MAK-UNK-95198336-7
0.325
MAK-UNK-10dfa458-40
0.323
AAR-POS-0daf6b7e-9
0.321
MAK-UNK-750cfbcc-5
0.321
VIR-GIT-7b3d3065-2
0.321
SAD-SAT-edc8a235-10
0.319
SAD-SAT-89668ff1-4
0.319
SAD-SAT-d8079f6f-6
0.318
AAR-POS-0daf6b7e-21
0.318
DAN-PUR-3907f623-1
0.316
MAK-UNK-c97f7c8f-1
0.312
MAK-UNK-6ca90168-22
0.312
MAK-UNK-f983951f-21
0.311
MAK-UNK-704ed37c-11
0.311
SAD-SAT-bc31ec01-2
0.311
MAK-UNK-6ca90168-14
0.310
DRR-IMP-38dce17f-7
0.310
VIR-GIT-7b3d3065-3
0.309
AAR-POS-0daf6b7e-19
0.309
YOI-UNK-a533afbc-5
0.308
YOI-UNK-12211982-5
0.308
NIR-THE-0d6461ce-7
0.306
MAK-UNK-750cfbcc-4
0.305
MAR-TRE-6a44bbf2-66
0.305
SAD-SAT-6b5a89f0-2
0.304
MAK-UNK-704ed37c-1
0.304
VIK-SYN-9a3d118a-8
0.303
MAK-UNK-af83ef51-6
0.302
MAK-UNK-212f693e-11
0.302
YOI-UNK-15f562e8-2
0.300
MAK-UNK-704ed37c-4
0.298
MAK-UNK-704ed37c-5
0.298
MAK-UNK-704ed37c-3
0.298
MAK-UNK-95198336-11
0.295
MAK-UNK-212f693e-10
0.295
LON-WEI-120e5cf5-15
0.295
MAR-TRE-6a44bbf2-86
0.295
MAK-UNK-704ed37c-2
0.293
MAK-UNK-704ed37c-7
0.293
KAT-UNK-c8a6cb16-1
0.293
YOI-UNK-15f562e8-5
0.293
HYO-UNK-1819783d-1
0.292
MAK-UNK-987948f6-5
0.292
MAK-UNK-6ca90168-16
0.292
MAK-UNK-f983951f-12
0.291
NIM-UNI-43fe0159-2
0.290
LON-WEI-120e5cf5-20
0.290
MAK-UNK-6c8f5f75-4
0.288
MAK-UNK-6ca90168-11
0.288
MAK-UNK-704ed37c-6
0.288
MAK-UNK-987948f6-3
0.288
MAK-UNK-987948f6-9
0.288
PAT-MCD-fb0933e5-1
0.288
LON-WEI-120e5cf5-11
0.288
NIR-THE-0d6461ce-6
0.288
MAK-UNK-704ed37c-12
0.286
DRR-IMP-11d47bff-1
0.286
MAR-TRE-6a44bbf2-39
0.286
SAD-SAT-5b1897b2-6
0.286
MAK-UNK-95198336-5
0.286
BEN-DND-76ad4ac9-4
0.286
AAR-POS-d2a4d1df-33
0.286
WAR-XCH-72a8c209-6
0.284
MAK-UNK-704ed37c-9
0.283
NIM-UNI-43fe0159-3
0.283
MAK-UNK-704ed37c-8
0.283
MAK-UNK-6c8f5f75-5
0.283
WAR-XCH-72a8c209-5
0.282