Molecular Properties | |
SMILES: | N#CC1CCCN(C(=O)CCl)C1 |
MW: | 186.06 |
Fraction sp3: | 0.75 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 44.1 |
cLogP: | 0.99 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | BBV-92735122 |
Mcule: | MCULE-6485579785 |
AAR-POS-d2a4d1df-33
SAD-SAT-edc8a235-7
0.667
MAK-UNK-95198336-9
0.512
MAK-UNK-6c8f5f75-1
0.489
SAD-SAT-65574d3f-6
0.460
SAD-SAT-6b5a89f0-5
0.420
MAK-UNK-95198336-3
0.400
WAR-XCH-72a8c209-5
0.377
MAK-UNK-4b073b5c-16
0.372
SAD-SAT-6b5a89f0-4
0.365
SAD-SAT-89668ff1-6
0.357
SAD-SAT-d8079f6f-5
0.356
SAD-SAT-d8079f6f-3
0.356
SAD-SAT-d8079f6f-6
0.348
IND-SYN-6c8299e8-1
0.348
TAT-ENA-80bfd3e5-13
0.343
AAR-POS-d2a4d1df-30
0.343
HAR-NEW-972ef1cc-2
0.342
MAK-UNK-95198336-10
0.340
MAK-UNK-6ca90168-18
0.340
MAK-UNK-6ca90168-17
0.340
MAK-UNK-6c8f5f75-3
0.340
SEL-UNI-49ab05bd-4
0.338
SAD-SAT-d8079f6f-4
0.333
MAK-UNK-750cfbcc-3
0.333
MAR-TRE-6a44bbf2-79
0.333
ASH-UNK-e28bb067-9
0.333
SAD-SAT-1b030f84-9
0.333
HAR-NEW-972ef1cc-1
0.333
WAR-XCH-bdd24732-19
0.329
STE-KUL-2e0d2e88-4
0.329
MAR-TRE-6a44bbf2-66
0.328
MAK-UNK-750cfbcc-4
0.328
VIR-GIT-7b3d3065-2
0.321
AAR-POS-0daf6b7e-9
0.321
MAK-UNK-750cfbcc-5
0.321
SAD-SAT-89668ff1-4
0.319
DAN-PUR-3907f623-1
0.317
MAK-UNK-f983951f-12
0.316
MAK-UNK-750cfbcc-2
0.315
SAD-SAT-6b5a89f0-3
0.315
MAK-UNK-750cfbcc-1
0.314
MAK-UNK-704ed37c-17
0.309
MAK-UNK-704ed37c-10
0.308
SAD-SAT-5b1897b2-9
0.308
STE-KUL-2e0d2e88-5
0.307
MAK-UNK-4b073b5c-17
0.306
TAT-ENA-80bfd3e5-10
0.306
TOB-UNK-c2aba166-1
0.302
STE-KUL-2e0d2e88-6
0.296
MAK-UNK-704ed37c-16
0.296
MAK-UNK-704ed37c-13
0.296
MAK-UNK-704ed37c-14
0.296
SAD-SAT-edc8a235-3
0.296
MAK-UNK-95198336-7
0.295
MAK-UNK-95198336-4
0.295
MAK-UNK-95198336-6
0.295
KAT-UNK-c8a6cb16-1
0.295
WAR-XCH-bdd24732-16
0.294
AAR-POS-0daf6b7e-21
0.292
MAK-UNK-6c8f5f75-4
0.291
WAR-XCH-b0339bbe-18
0.291
DRR-IMP-38dce17f-7
0.290
MAK-UNK-6ca90168-14
0.290
YOI-UNK-a533afbc-5
0.290
YOI-UNK-12211982-5
0.290
AAR-POS-0daf6b7e-19
0.288
VIR-GIT-7b3d3065-3
0.288
DRR-IMP-11d47bff-1
0.288
VIK-SYN-9a3d118a-8
0.286
MAK-UNK-f983951f-21
0.286
PAU-WEI-c6d65c11-1
0.286
MAK-UNK-10dfa458-40
0.286
SAD-SAT-bc31ec01-2
0.286
JON-MCD-47e58de1-1
0.286
SEA-TRI-f744d433-1
0.286
JOH-UNI-27ac80fd-8
0.286
MAK-UNK-704ed37c-11
0.286
MAR-TRE-6a44bbf2-29
0.284
MAK-UNK-9b4e5ff2-6
0.282
SAD-SAT-c989feaa-4
0.282
MAR-TRE-6a44bbf2-92
0.281
GIA-UNK-c4371e97-2
0.281
MAK-UNK-4b073b5c-15
0.280
SAD-SAT-89668ff1-9
0.280
SAD-SAT-6b5a89f0-2
0.280
MAK-UNK-10dfa458-39
0.279
DUN-NEW-f8ce3686-22
0.279
MAK-UNK-f983951f-27
0.278
MAR-TRE-6a44bbf2-86
0.277
LON-WEI-120e5cf5-15
0.277
MAK-UNK-c97f7c8f-1
0.275
HYO-UNK-1819783d-1
0.275
MAK-UNK-6ca90168-22
0.275
YOI-UNK-15f562e8-5
0.274
MAK-UNK-704ed37c-2
0.274
DUN-NEW-f8ce3686-3
0.274
WAR-XCH-b0339bbe-7
0.274
LON-WEI-120e5cf5-5
0.273
YOI-UNK-15f562e8-4
0.273
STU-CHA-0be58c98-1
0.273