Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2C(CCc1ccccc1)c1cccc(Cl)c1 |
MW: | 402.13 |
Fraction sp3: | 0.41 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 23.55 |
cLogP: | 4.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-50
0.789
MAK-UNK-ec98eaf6-51
0.728
AHN-SAT-721e3e40-1
0.716
DAR-DIA-3e9bbd81-3
0.580
MAK-UNK-ec98eaf6-53
0.578
MAK-UNK-10799360-36
0.571
MAK-UNK-df1a028e-4
0.564
MAK-UNK-ec98eaf6-52
0.553
PAU-WEI-b9b69149-1
0.549
MAK-UNK-ec98eaf6-6
0.524
MAK-UNK-ec98eaf6-1
0.506
MAK-UNK-5d2caa6f-3
0.494
MAK-UNK-df1a028e-9
0.494
MAK-UNK-90d0606b-3
0.482
MAK-UNK-ec98eaf6-54
0.476
DAR-DIA-3e9bbd81-14
0.469
MAK-UNK-3e0761f8-4
0.467
DAN-LON-a5fc619e-8
0.457
DAR-DIA-3e9bbd81-5
0.442
MAK-UNK-3e0761f8-9
0.438
MAK-UNK-5d2caa6f-4
0.437
DAR-DIA-3e9bbd81-7
0.430
PAU-WEI-b9b69149-3
0.429
MAK-UNK-5d2caa6f-5
0.427
MAK-UNK-ec98eaf6-15
0.423
MAK-UNK-ec98eaf6-44
0.409
MAK-UNK-ec98eaf6-13
0.407
MAK-UNK-ec98eaf6-9
0.407
PAU-WEI-b9b69149-2
0.400
PAU-WEI-b9b69149-4
0.400
DAR-DIA-3e9bbd81-6
0.396
MAK-UNK-5d2caa6f-24
0.396
MAK-UNK-ec98eaf6-3
0.396
MAK-UNK-ec98eaf6-4
0.386
MAK-UNK-3f402c2b-3
0.384
MAK-UNK-ec98eaf6-55
0.381
MAK-UNK-ec98eaf6-56
0.364
MAK-UNK-ec98eaf6-8
0.364
GIA-UNK-c4371e97-3
0.363
MAK-UNK-ec98eaf6-45
0.358
MAK-UNK-df1a028e-8
0.357
DAR-DIA-3e9bbd81-13
0.355
PEI-IMP-e4a008a2-1
0.349
MAK-UNK-10799360-26
0.349
MAK-UNK-3f402c2b-7
0.345
MAK-UNK-3f402c2b-16
0.345
DAN-LON-a5fc619e-10
0.344
MAK-UNK-ec98eaf6-2
0.343
MAK-UNK-df1a028e-6
0.341
MAK-UNK-ec98eaf6-46
0.340
MAK-UNK-af83ef51-2
0.337
DAR-DIA-3e9bbd81-12
0.337
GIA-UNK-7337c2f3-2
0.337
MAK-UNK-ec98eaf6-7
0.337
AHN-SAT-de2502ba-1
0.333
MAK-UNK-ec98eaf6-11
0.333
NAM-UNK-f7c77a48-4
0.333
MAK-UNK-10799360-32
0.330
DAR-DIA-3e9bbd81-1
0.330
SAD-SAT-581007d4-10
0.330
MAK-UNK-90d0606b-1
0.327
MAK-UNK-bae89c02-4
0.326
MAK-UNK-5d2caa6f-12
0.326
MAK-UNK-ec98eaf6-48
0.323
MAK-UNK-10799360-5
0.323
DAN-LON-a5fc619e-5
0.323
DAN-LON-a5fc619e-4
0.323
MED-COV-4280ac29-13
0.322
MAK-UNK-3f402c2b-27
0.322
MAK-UNK-3f402c2b-14
0.319
DAN-LON-a5fc619e-1
0.319
MAK-UNK-3f402c2b-15
0.318
MAK-UNK-3f402c2b-22
0.318
MED-COV-4280ac29-6
0.318
MAK-UNK-3f402c2b-13
0.316
MAK-UNK-ec98eaf6-14
0.316
MAK-UNK-10dfa458-39
0.315
MAK-UNK-3f402c2b-4
0.314
MAK-UNK-ec98eaf6-17
0.313
MAK-UNK-ec98eaf6-18
0.312
MAK-UNK-3f402c2b-2
0.312
MAK-UNK-10799360-19
0.311
MAK-UNK-3f402c2b-9
0.311
DAR-DIA-3e9bbd81-4
0.311
BEN-DND-362d364a-1
0.311
MAK-UNK-3f402c2b-25
0.310
MAK-UNK-10799360-3
0.310
MAK-UNK-3f402c2b-6
0.308
MAK-UNK-3f402c2b-24
0.308
PAU-WEI-b9b69149-6
0.308
MAK-UNK-ec98eaf6-19
0.307
MAK-UNK-10799360-35
0.305
SAD-SAT-581007d4-9
0.304
MAK-UNK-3f402c2b-29
0.303
SAD-SAT-c989feaa-3
0.302
MAK-UNK-3f402c2b-11
0.301
MAK-UNK-3f402c2b-5
0.300
MAK-UNK-3f402c2b-26
0.300
SAD-SAT-c989feaa-5
0.299
MAK-UNK-10799360-21
0.298