Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C(c2ccc(Cl)cc2)C1 |
MW: | 397.733 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 4.6177 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
DAN-LON-a5fc619e-9
0.649
DAN-LON-a5fc619e-1
0.606
SAD-SAT-c989feaa-3
0.545
SAD-SAT-c989feaa-5
0.538
DAN-LON-a5fc619e-7
0.537
JOH-UNI-0e1753c1-5
0.532
DAN-LON-a5fc619e-3
0.532
JOH-UNI-0e1753c1-3
0.479
HYO-UNK-49a60884-1
0.479
MED-COV-4280ac29-15
0.479
AAR-POS-d2a4d1df-35
0.479
DAN-LON-a5fc619e-8
0.455
SAL-INS-1c7a5a55-11
0.435
MED-COV-4280ac29-13
0.412
MAK-UNK-ec98eaf6-46
0.409
DAN-LON-a5fc619e-2
0.407
SAD-SAT-c989feaa-7
0.407
SAD-SAT-c989feaa-6
0.407
DAN-LON-a5fc619e-5
0.407
JOH-UNI-0e1753c1-4
0.402
AVI-UNI-70b60925-1
0.398
MAK-UNK-10799360-33
0.391
MAK-UNK-ec98eaf6-44
0.388
SAD-SAT-c989feaa-8
0.386
STU-CHA-0be58c98-1
0.386
SAD-SAT-c989feaa-1
0.382
JOH-UNI-0e1753c1-2
0.382
PAT-MCD-fb0933e5-1
0.378
DAN-LON-a5fc619e-4
0.376
SAD-SAT-c989feaa-9
0.376
MED-COV-4280ac29-18
0.373
MAK-UNK-6ca90168-13
0.372
JOH-UNI-23d9e1b1-1
0.372
MAK-UNK-6ca90168-15
0.368
DAN-LON-a5fc619e-10
0.368
MAK-UNK-ec98eaf6-45
0.367
SAD-SAT-c989feaa-2
0.366
JOH-IMS-1436231f-2
0.361
MED-COV-4280ac29-38
0.360
MED-COV-4280ac29-6
0.359
SAD-SAT-65574d3f-9
0.355
JOH-UNI-0e1753c1-1
0.354
SAD-SAT-c989feaa-4
0.353
MED-COV-4280ac29-2
0.352
MAK-UNK-7c9d1431-29
0.351
SAD-SAT-c989feaa-10
0.348
PAU-WEI-b9b69149-1
0.344
SEA-TRI-146a67b6-1
0.344
AAR-POS-d2a4d1df-24
0.342
MED-COV-4280ac29-12
0.341
JOE-SYG-2c9a1216-1
0.341
DRR-IMP-38dce17f-2
0.338
DUN-NEW-f8ce3686-22
0.337
DRR-IMP-db50bf6e-3
0.333
PAU-WEI-b9b69149-3
0.333
SEA-TRI-9e600f3c-1
0.330
DAR-DIA-3e9bbd81-12
0.329
GIA-UNK-7337c2f3-2
0.329
DRR-IMP-dff87f5e-8
0.329
PAU-UNI-8cdd41c7-1
0.329
MED-COV-4280ac29-29
0.325
JOK-SYG-18591e8f-1
0.325
MAT-POS-2db6411e-2
0.325
SAD-SAT-581007d4-7
0.325
HYO-UNK-1dbfcf16-1
0.323
SAL-INS-1c7a5a55-12
0.323
SEA-TRI-8222e606-1
0.322
MAT-POS-ee51dedd-1
0.321
AAR-POS-0daf6b7e-29
0.320
JOH-IMS-1436231f-6
0.320
MAK-UNK-849bee6c-17
0.320
AVI-UNI-c9bf710f-1
0.320
MED-COV-4280ac29-7
0.318
MED-COV-4280ac29-11
0.314
MAK-UNK-3f402c2b-3
0.314
SAD-SAT-b55127ae-1
0.313
MAK-UNK-ec98eaf6-6
0.312
MAK-UNK-176ca439-3
0.312
MAK-UNK-cd94b63c-1
0.312
GIA-UNK-c4371e97-3
0.311
TAT-ENA-80bfd3e5-10
0.311
GIA-UNK-7337c2f3-1
0.310
NAM-UNK-f7c77a48-4
0.310
PAU-WEI-b9b69149-2
0.309
NAM-UNK-f7c77a48-3
0.309
SAD-SAT-581007d4-2
0.309
SAD-SAT-581007d4-1
0.309
MAK-UNK-849bee6c-5
0.306
PAU-WEI-3e86dfd8-2
0.304
MAK-UNK-ec98eaf6-4
0.303
HYO-UNK-50298ba0-1
0.303
MAK-UNK-e4a48a85-7
0.303
SAD-SAT-7d5528d9-35
0.303
MAK-UNK-7c9d1431-24
0.303
DRR-IMP-38dce17f-3
0.303
HYO-UNK-1819783d-1
0.302
ASH-SAT-43770c7d-3
0.302
SAD-SAT-7d5528d9-21
0.302
MAK-UNK-df1a028e-8
0.301
SEA-TRI-2c7f3de8-1
0.301