Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2[C@H](c1ccc(Cl)cc1)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-10799360-36
0.855
DAR-DIA-3e9bbd81-3
0.821
MAK-UNK-ec98eaf6-1
0.736
MAK-UNK-ec98eaf6-9
0.627
MAK-UNK-df1a028e-9
0.603
AHN-SAT-721e3e40-1
0.592
DAR-DIA-3e9bbd81-7
0.568
MAK-UNK-ec98eaf6-15
0.543
MAK-UNK-ec98eaf6-49
0.524
DAR-DIA-3e9bbd81-14
0.517
MAK-UNK-ec98eaf6-50
0.512
MED-COV-4280ac29-18
0.500
DAR-DIA-3e9bbd81-5
0.472
MAK-UNK-5d2caa6f-3
0.456
DAN-LON-a5fc619e-8
0.455
MAK-UNK-ec98eaf6-13
0.438
MAK-UNK-ec98eaf6-3
0.424
GIA-UNK-c4371e97-3
0.422
DAR-DIA-3e9bbd81-6
0.421
MAK-UNK-3e0761f8-9
0.419
MAK-UNK-5d2caa6f-4
0.417
MAK-UNK-3e0761f8-4
0.416
MAK-UNK-ec98eaf6-4
0.415
MAK-UNK-df1a028e-4
0.415
MED-COV-4280ac29-6
0.413
MAK-UNK-90d0606b-3
0.412
MAK-UNK-5d2caa6f-5
0.407
MAK-UNK-ec98eaf6-8
0.398
MAK-UNK-ec98eaf6-51
0.396
GIA-UNK-7337c2f3-2
0.395
DAR-DIA-3e9bbd81-12
0.395
MAK-UNK-3f402c2b-15
0.392
MAK-UNK-ec98eaf6-44
0.388
MAK-UNK-ec98eaf6-53
0.388
MAK-UNK-5d2caa6f-24
0.376
DAR-DIA-3e9bbd81-13
0.376
MAK-UNK-ec98eaf6-52
0.373
MAK-UNK-3f402c2b-7
0.372
SAD-SAT-581007d4-10
0.368
MAK-UNK-3f402c2b-25
0.367
MAK-UNK-df1a028e-8
0.367
MAK-UNK-ec98eaf6-45
0.367
MED-COV-4280ac29-7
0.365
MAK-UNK-3f402c2b-3
0.361
GIA-UNK-7337c2f3-1
0.358
MAK-UNK-3f402c2b-4
0.354
SEA-TRI-8222e606-1
0.352
MAK-UNK-3f402c2b-9
0.349
MAK-UNK-df1a028e-6
0.349
PAU-WEI-3e86dfd8-2
0.348
MAK-UNK-3f402c2b-29
0.348
SEA-TRI-2c7f3de8-1
0.344
NAM-UNK-f7c77a48-4
0.341
DAR-DIA-3e9bbd81-1
0.337
MAK-UNK-3f402c2b-2
0.333
MAK-UNK-ec98eaf6-17
0.333
MAK-UNK-ec98eaf6-18
0.333
SAD-SAT-3a925b8b-8
0.333
DAR-DIA-3e9bbd81-4
0.330
DAR-DIA-3e9bbd81-10
0.330
DAN-LON-a5fc619e-4
0.330
MAK-UNK-3f402c2b-27
0.329
AAR-POS-0daf6b7e-10
0.329
PEI-IMP-e4a008a2-1
0.325
MAK-UNK-3f402c2b-22
0.325
MAK-UNK-ec98eaf6-14
0.322
MAK-UNK-3f402c2b-13
0.322
MAK-UNK-3f402c2b-11
0.322
MAK-UNK-3f402c2b-5
0.321
MAK-UNK-3f402c2b-16
0.321
MAK-UNK-3f402c2b-26
0.321
MAK-UNK-ec98eaf6-54
0.319
MAK-UNK-3f402c2b-12
0.318
MAK-UNK-10799360-26
0.318
MAK-UNK-10799360-12
0.317
MAK-UNK-ec98eaf6-55
0.316
MAK-UNK-10799360-5
0.316
MAK-UNK-5d2caa6f-6
0.316
MAK-UNK-3f402c2b-17
0.315
MAK-UNK-3f402c2b-6
0.314
MED-COV-4280ac29-13
0.314
MAK-UNK-3f402c2b-24
0.314
MAK-UNK-3f402c2b-1
0.314
MAK-UNK-bae89c02-3
0.312
DAN-LON-a5fc619e-6
0.312
DAV-CRI-3edb475e-4
0.312
MAK-UNK-5d2caa6f-23
0.311
MAK-UNK-3f402c2b-14
0.311
MED-COV-4280ac29-34
0.311
MAK-UNK-5d2caa6f-16
0.310
SAD-SAT-581007d4-9
0.310
MAK-UNK-df1a028e-1
0.307
MAK-UNK-90d0606b-1
0.305
PAU-WEI-b9b69149-3
0.305
MAK-UNK-10799360-19
0.304
MAK-UNK-5d2caa6f-12
0.303
GIA-UNK-c4371e97-1
0.303
MAK-UNK-10799360-21
0.303
MAK-UNK-ec98eaf6-56
0.303
MAK-UNK-3f402c2b-21
0.302