Molecular Properties | |
SMILES: | N#Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1 |
MW: | 276.1 |
Fraction sp3: | 0.47 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 44.1 |
cLogP: | 2.58 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-af83ef51-6
0.619
MAK-UNK-10dfa458-41
0.603
MAK-UNK-10dfa458-42
0.553
MAT-POS-ee51dedd-1
0.537
MAK-UNK-212f693e-32
0.485
NIR-THE-0d6461ce-8
0.478
NIR-THE-0d6461ce-6
0.462
NIR-THE-0d6461ce-4
0.443
SAD-SAT-c989feaa-2
0.434
PAU-WEI-b9b69149-4
0.417
PAT-UNK-b2d83456-1
0.414
TAT-ENA-80bfd3e5-10
0.410
MAK-UNK-6c8f5f75-1
0.407
WAR-XCH-bdd24732-19
0.404
MAK-UNK-10dfa458-10
0.403
DAR-DIA-3e9bbd81-11
0.392
MAK-UNK-6ca90168-14
0.391
DRR-IMP-38dce17f-7
0.391
SAD-SAT-f2e2579e-10
0.390
PAU-WEI-b9b69149-6
0.386
VIK-SYN-9a3d118a-8
0.377
PAU-WEI-b9b69149-5
0.374
DRR-IMP-dff87f5e-9
0.370
DRA-CSI-47e38074-2
0.369
NIR-THE-c331be7a-2
0.366
BEN-DND-76ad4ac9-4
0.365
MAK-UNK-69bf97dd-1
0.364
BEN-DND-76ad4ac9-7
0.360
SWA-SYN-d2e6fa14-7
0.360
SWA-SYN-6423ea73-7
0.360
NIR-THE-0d6461ce-7
0.357
MAK-UNK-10dfa458-39
0.355
NIR-THE-0d6461ce-1
0.355
DUN-NEW-f8ce3686-25
0.354
TAM-UNI-d1c3dd9f-18
0.354
MAK-UNK-987948f6-3
0.352
DRA-CSI-47e38074-3
0.352
DAR-DIA-3e9bbd81-16
0.348
MAK-UNK-212f693e-34
0.347
MAK-UNK-212f693e-35
0.347
JOH-UNI-0e1753c1-3
0.347
AAR-POS-d2a4d1df-35
0.347
MED-COV-4280ac29-15
0.347
HYO-UNK-49a60884-1
0.347
MAK-UNK-af83ef51-8
0.346
MAK-UNK-af83ef51-5
0.346
DAR-DIA-fb20be43-6
0.345
NIM-UNI-310206f0-35
0.343
AAR-POS-d2a4d1df-24
0.342
MAK-UNK-849bee6c-9
0.341
WAR-XCH-b0339bbe-3
0.341
MAK-UNK-10dfa458-38
0.341
SAD-SAT-f2e2579e-4
0.341
MAK-UNK-ec98eaf6-51
0.340
SAD-SAT-24589cd1-9
0.340
MAK-UNK-6ca90168-9
0.338
WAR-XCH-72a8c209-6
0.337
SAD-SAT-29425be4-9
0.337
NIR-THE-0d6461ce-2
0.337
MAK-UNK-6ca90168-11
0.333
MAK-UNK-6ca90168-22
0.333
MAK-UNK-987948f6-15
0.333
SAD-SAT-d8079f6f-4
0.333
SAD-SAT-89668ff1-3
0.333
MAR-TRE-6a44bbf2-9
0.333
DAR-DIA-fb20be43-3
0.333
MAK-UNK-af83ef51-9
0.333
DRA-CSI-47e38074-12
0.333
DAN-MCD-02570321-1
0.330
MAK-UNK-af83ef51-7
0.329
MAK-UNK-849bee6c-7
0.329
TAM-UNI-d1c3dd9f-16
0.329
DRA-CSI-47e38074-4
0.329
MIH-UNI-6b9ca91a-5
0.329
MIC-UNK-2744a8e2-1
0.326
MIC-UNK-df342a3f-1
0.326
MAR-TRE-6a44bbf2-15
0.325
JOK-SYG-18591e8f-1
0.325
AAR-POS-0daf6b7e-6
0.325
AAR-POS-0daf6b7e-5
0.324
DRA-CSI-47e38074-5
0.324
SAD-SAT-edc8a235-7
0.323
MAK-UNK-ec98eaf6-40
0.322
SAD-SAT-89668ff1-1
0.321
TAM-UNI-d1c3dd9f-17
0.321
DRA-CSI-47e38074-10
0.321
MAK-UNK-212f693e-13
0.320
DRR-IMP-38dce17f-2
0.320
MAR-TRE-6a44bbf2-18
0.320
LON-WEI-8f408cad-4
0.320
LON-WEI-120e5cf5-15
0.320
MAR-TRE-6a44bbf2-86
0.320
AAR-POS-d2a4d1df-23
0.320
BEN-DND-03406596-10
0.320
MAK-UNK-ec98eaf6-53
0.320
MAK-UNK-7c9d1431-24
0.319
DRR-IMP-38dce17f-3
0.319
MAK-UNK-849bee6c-6
0.319
AAR-UNI-c25c2f1e-56
0.318
MAK-UNK-750cfbcc-1
0.317