Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1c1ccccc1 |
MW: | 363.288 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.9643 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MED-COV-4280ac29-13
0.623
DAN-LON-a5fc619e-10
0.595
DAN-LON-a5fc619e-4
0.547
MED-COV-4280ac29-2
0.525
MED-COV-4280ac29-15
0.507
AAR-POS-d2a4d1df-35
0.507
HYO-UNK-49a60884-1
0.507
JOH-UNI-0e1753c1-3
0.507
JOH-UNI-0e1753c1-2
0.425
DAN-LON-a5fc619e-8
0.423
AVI-UNI-70b60925-1
0.418
JOH-UNI-23d9e1b1-1
0.413
MAK-UNK-6ca90168-13
0.413
MAK-UNK-ec98eaf6-44
0.410
DAN-LON-a5fc619e-6
0.407
MIH-UNI-e573136b-2
0.404
MAK-UNK-ec98eaf6-45
0.402
DAN-LON-a5fc619e-1
0.395
JOH-UNI-0e1753c1-1
0.392
ASH-SAT-43770c7d-3
0.388
MAK-UNK-ec98eaf6-46
0.382
AVI-UNI-c9bf710f-1
0.380
AAR-POS-0daf6b7e-29
0.380
JOH-IMS-1436231f-6
0.380
NIM-UNI-363644a0-1
0.379
DAN-LON-a5fc619e-2
0.378
DAN-LON-a5fc619e-9
0.375
SAD-SAT-c989feaa-3
0.372
SAD-SAT-c989feaa-5
0.368
DAN-LON-a5fc619e-3
0.364
JOH-UNI-0e1753c1-5
0.364
AAR-POS-d2a4d1df-24
0.364
SAD-SAT-7d5528d9-35
0.362
DRR-IMP-38dce17f-3
0.361
MAK-UNK-7c9d1431-24
0.361
MAT-POS-ee51dedd-1
0.358
DAN-LON-a5fc619e-7
0.356
SAD-SAT-7d5528d9-21
0.354
SEA-TRI-9e600f3c-1
0.348
SEA-TRI-146a67b6-1
0.348
DRR-IMP-38dce17f-2
0.342
DUN-NEW-f8ce3686-22
0.341
NEH-REV-107bcf72-4
0.341
MAT-POS-7174c657-2
0.337
SAD-SAT-7d5528d9-7
0.337
GIA-UNK-7337c2f3-2
0.333
DAR-DIA-3e9bbd81-12
0.333
PAU-WEI-b9b69149-1
0.333
MAK-UNK-e4a48a85-7
0.333
ERI-UCB-a0b0dbcb-12
0.333
DAR-DIA-3e9bbd81-3
0.330
GIA-UNK-c4371e97-3
0.330
NAM-UNK-f7c77a48-4
0.329
JOK-SYG-18591e8f-1
0.329
SAD-SAT-7d5528d9-6
0.326
MAK-UNK-ec98eaf6-49
0.323
MAK-UNK-10799360-33
0.323
MAK-UNK-6ca90168-15
0.321
SAD-SAT-c989feaa-7
0.319
SAD-SAT-c989feaa-6
0.319
MAK-UNK-3f402c2b-3
0.318
JOH-UNI-27ac80fd-29
0.318
PAU-UNI-8cdd41c7-1
0.316
SAL-INS-1c7a5a55-11
0.315
MAK-UNK-cd94b63c-1
0.315
MAK-UNK-176ca439-3
0.315
JOH-UNI-0e1753c1-4
0.315
JOE-SYG-2c9a1216-1
0.315
SAD-SAT-7d5528d9-11
0.315
SAD-SAT-7d5528d9-18
0.315
SAD-SAT-7d5528d9-24
0.315
MED-COV-4280ac29-12
0.313
MAK-UNK-849bee6c-16
0.312
MED-COV-4280ac29-6
0.312
NAU-LAT-64f4b287-4
0.311
THO-SYG-4e0386bb-1
0.311
MAK-UNK-10799360-36
0.310
MIC-UNK-13557a72-1
0.310
MAT-POS-fa06b69f-7
0.309
TAT-ENA-80bfd3e5-45
0.309
MAK-UNK-ec98eaf6-5
0.308
SAD-SAT-65574d3f-9
0.308
MAK-UNK-10799360-3
0.305
MAK-UNK-849bee6c-14
0.305
MAK-UNK-849bee6c-7
0.304
SAD-SAT-7d5528d9-15
0.304
MAK-UNK-7c9d1431-29
0.303
JOH-IMS-1436231f-2
0.302
TAT-ENA-80bfd3e5-5
0.301
SEA-TRI-8252c13b-1
0.301
MAK-UNK-849bee6c-9
0.301
MIH-UNI-e573136b-3
0.301
DAR-DIA-43a5904b-7
0.300
MAK-UNK-df1a028e-7
0.299
MED-COV-4280ac29-19
0.298
NAU-LAT-f723e322-4
0.298
MIH-UNI-e573136b-1
0.297
MAK-UNK-849bee6c-17
0.297
SAM-UNK-2684b532-14
0.297
MAR-TRE-6a44bbf2-99
0.297