Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 |
MW: | 404.17 |
Fraction sp3: | 0.24 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 23.55 |
cLogP: | 4.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SIM-SYN-f15aaa3a-1
0.784
GIA-UNK-7337c2f3-7
0.741
GIA-UNK-7337c2f3-1
0.724
GIA-UNK-7337c2f3-4
0.712
GIA-UNK-7337c2f3-11
0.698
GIA-UNK-7337c2f3-12
0.677
GIA-UNK-4de5abb1-1
0.619
GIA-UNK-7337c2f3-13
0.612
DAR-DIA-3e9bbd81-12
0.609
GIA-UNK-7337c2f3-2
0.609
GIA-UNK-7337c2f3-5
0.600
GIA-UNK-7337c2f3-8
0.600
GIA-UNK-7337c2f3-15
0.580
DAR-DIA-3e9bbd81-11
0.565
GIA-UNK-7337c2f3-3
0.545
GIA-UNK-7337c2f3-6
0.545
GIA-UNK-7337c2f3-14
0.534
GIA-UNK-7337c2f3-9
0.529
MED-COV-4280ac29-23
0.522
MED-COV-4280ac29-18
0.507
MED-COV-4280ac29-6
0.500
MAK-UNK-6ca90168-12
0.492
MAR-TRE-6a44bbf2-92
0.477
GIA-UNK-20b63697-7
0.470
GIA-UNK-4de5abb1-5
0.466
SEL-UNI-cd366922-5
0.464
GIA-UNK-20b63697-2
0.458
GIA-UNK-20b63697-6
0.457
GIA-UNK-20b63697-8
0.452
GIA-UNK-20b63697-1
0.449
GIA-UNK-20b63697-4
0.438
GIA-UNK-20b63697-5
0.438
GIA-UNK-20b63697-3
0.438
MED-COV-4280ac29-7
0.432
SEL-UNI-cd366922-2
0.431
GIA-UNK-4de5abb1-4
0.427
MED-COV-4280ac29-21
0.416
GIA-UNK-20b63697-9
0.410
GIA-UNK-4de5abb1-2
0.405
MAK-UNK-6ca90168-11
0.403
SEA-TRI-8222e606-1
0.397
MAK-UNK-af83ef51-2
0.394
PAU-WEI-3e86dfd8-2
0.392
WAL-WAB-df110a02-2
0.392
GIA-UNK-c4371e97-2
0.391
MAK-UNK-987948f6-2
0.391
MAK-UNK-7c9d1431-24
0.391
DRR-IMP-38dce17f-3
0.391
AHN-SAT-de2502ba-7
0.388
PAU-WEI-b9b69149-1
0.388
SEA-TRI-2c7f3de8-1
0.388
SIM-SYN-f15aaa3a-2
0.388
NIM-UNI-ed9fc491-3
0.384
MAK-UNK-10dfa458-39
0.384
NEH-REV-107bcf72-2
0.378
NIM-UNI-05f93fcc-2
0.377
MAK-UNK-af83ef51-1
0.373
MED-COV-dea4df70-1
0.372
AHN-SAT-de2502ba-1
0.368
MAR-TRE-6a44bbf2-21
0.368
MAK-UNK-7c9d1431-9
0.368
YOI-UNK-a533afbc-6
0.367
YOI-UNK-12211982-6
0.367
MIH-UNI-e573136b-7
0.367
MAR-TRE-6a44bbf2-77
0.361
PAU-WEI-b9b69149-4
0.360
MAK-UNK-df1a028e-9
0.356
MAR-TRE-6a44bbf2-28
0.352
MAK-UNK-7c9d1431-23
0.352
AHN-SAT-de2502ba-14
0.352
SAD-SAT-65574d3f-1
0.352
GIA-UNK-c4371e97-3
0.350
MAK-UNK-6ca90168-10
0.348
MAK-UNK-15efde89-1
0.347
SAD-SAT-1b030f84-9
0.346
SEL-UNI-cd366922-9
0.346
MAK-UNK-7c9d1431-28
0.343
MAK-UNK-7c9d1431-27
0.342
GIA-UNK-c4371e97-1
0.342
PAU-WEI-b9b69149-3
0.341
WAR-XCH-79d12f6e-7
0.338
STE-KUL-2e0d2e88-1
0.333
AAR-POS-d2a4d1df-24
0.333
SWA-SYN-d2e6fa14-1
0.333
SWA-SYN-6423ea73-1
0.333
AAR-POS-0daf6b7e-5
0.333
AAR-POS-0daf6b7e-16
0.333
MAK-UNK-6ca90168-1
0.333
MAK-UNK-6ca90168-4
0.333
MAK-UNK-7c9d1431-12
0.333
MAK-UNK-6ca90168-3
0.333
SAD-SAT-5b1897b2-10
0.333
MED-COV-4280ac29-34
0.330
SAD-SAT-29425be4-16
0.330
TAT-ENA-80bfd3e5-30
0.329
DRR-IMP-dff87f5e-4
0.329
SAD-SAT-65574d3f-9
0.329
DRR-IMP-38dce17f-1
0.329
SAD-SAT-5b1897b2-3
0.329
MAK-UNK-704ed37c-11
0.328