Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2C(c1cccc(Cl)c1)c1cccc(Cl)c1 |
MW: | 408.06 |
Fraction sp3: | 0.35 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 4.61 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-6
0.855
DAR-DIA-3e9bbd81-3
0.855
MAK-UNK-ec98eaf6-1
0.844
MAK-UNK-df1a028e-9
0.645
AHN-SAT-721e3e40-1
0.629
MAK-UNK-ec98eaf6-9
0.620
MAK-UNK-ec98eaf6-15
0.588
DAR-DIA-3e9bbd81-7
0.579
MAK-UNK-ec98eaf6-49
0.571
DAR-DIA-3e9bbd81-14
0.561
MAK-UNK-ec98eaf6-50
0.557
DAN-LON-a5fc619e-8
0.500
MAK-UNK-5d2caa6f-3
0.500
DAR-DIA-3e9bbd81-5
0.494
MAK-UNK-ec98eaf6-13
0.479
MAK-UNK-ec98eaf6-3
0.462
MED-COV-4280ac29-6
0.456
MAK-UNK-5d2caa6f-4
0.455
MAK-UNK-df1a028e-4
0.453
MAK-UNK-ec98eaf6-4
0.453
MAK-UNK-3e0761f8-4
0.451
MAK-UNK-90d0606b-3
0.449
MAK-UNK-5d2caa6f-5
0.443
GIA-UNK-c4371e97-3
0.442
DAR-DIA-3e9bbd81-6
0.438
MAK-UNK-3e0761f8-9
0.438
MAK-UNK-ec98eaf6-51
0.427
MAK-UNK-ec98eaf6-44
0.423
MAK-UNK-ec98eaf6-53
0.418
GIA-UNK-7337c2f3-2
0.413
DAR-DIA-3e9bbd81-12
0.413
MAK-UNK-ec98eaf6-8
0.412
MED-COV-4280ac29-18
0.408
MAK-UNK-5d2caa6f-24
0.407
DAR-DIA-3e9bbd81-13
0.404
MAK-UNK-df1a028e-8
0.403
MAK-UNK-ec98eaf6-52
0.400
SAD-SAT-581007d4-10
0.400
MAK-UNK-ec98eaf6-45
0.398
MED-COV-4280ac29-7
0.397
MAK-UNK-3f402c2b-3
0.395
NAM-UNK-f7c77a48-4
0.392
MAK-UNK-3f402c2b-7
0.389
MAK-UNK-3f402c2b-29
0.387
SEA-TRI-8222e606-1
0.383
MAK-UNK-df1a028e-6
0.382
DAR-DIA-3e9bbd81-1
0.381
PAU-WEI-3e86dfd8-2
0.378
SEA-TRI-2c7f3de8-1
0.373
MAK-UNK-3f402c2b-15
0.373
MAK-UNK-3f402c2b-4
0.370
MAK-UNK-3f402c2b-25
0.365
MAK-UNK-3f402c2b-9
0.364
MAK-UNK-3f402c2b-2
0.362
AAR-POS-0daf6b7e-10
0.362
MAK-UNK-ec98eaf6-18
0.361
MAK-UNK-3f402c2b-27
0.360
DAN-LON-a5fc619e-4
0.358
MAK-UNK-3f402c2b-17
0.358
DAR-DIA-3e9bbd81-4
0.356
DAR-DIA-3e9bbd81-10
0.356
PEI-IMP-e4a008a2-1
0.355
MAK-UNK-3f402c2b-22
0.355
MAK-UNK-3f402c2b-5
0.351
MAK-UNK-3f402c2b-16
0.351
MAK-UNK-3f402c2b-26
0.351
MAK-UNK-ec98eaf6-14
0.349
MAK-UNK-3f402c2b-13
0.349
SAD-SAT-3a925b8b-8
0.346
MAK-UNK-3f402c2b-12
0.346
MAK-UNK-ec98eaf6-17
0.345
DAV-CRI-3edb475e-4
0.343
MED-COV-4280ac29-13
0.342
MAK-UNK-3f402c2b-1
0.342
MAK-UNK-3f402c2b-6
0.342
MAK-UNK-3f402c2b-24
0.342
MAK-UNK-5d2caa6f-6
0.341
MAK-UNK-10799360-5
0.341
MAK-UNK-10799360-26
0.340
MAK-UNK-ec98eaf6-54
0.340
SAD-SAT-581007d4-9
0.338
MAK-UNK-3f402c2b-14
0.337
MAK-UNK-bae89c02-3
0.337
MAK-UNK-ec98eaf6-55
0.336
MED-COV-4280ac29-34
0.333
MAK-UNK-3f402c2b-11
0.333
MAK-UNK-df1a028e-1
0.333
PAU-WEI-b9b69149-3
0.330
MAK-UNK-5d2caa6f-12
0.329
MAK-UNK-3f402c2b-21
0.329
MAK-UNK-10799360-12
0.327
MAK-UNK-10799360-19
0.326
MAK-UNK-10799360-21
0.326
PAU-WEI-b9b69149-1
0.326
GIA-UNK-4de5abb1-4
0.325
MAK-UNK-ec98eaf6-56
0.321
DAN-LON-a5fc619e-1
0.321
MAK-UNK-5d2caa6f-23
0.320
MAK-UNK-ec98eaf6-2
0.319
SAD-SAT-c989feaa-3
0.318