Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(-c3ccccc3)c2)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: | ✗ |
GIA-UNK-7337c2f3-10
0.698
SIM-SYN-f15aaa3a-1
0.684
DAR-DIA-3e9bbd81-12
0.662
GIA-UNK-7337c2f3-2
0.662
GIA-UNK-7337c2f3-8
0.652
GIA-UNK-7337c2f3-5
0.652
GIA-UNK-7337c2f3-13
0.638
DAR-DIA-3e9bbd81-11
0.614
GIA-UNK-4de5abb1-1
0.597
GIA-UNK-7337c2f3-1
0.591
GIA-UNK-7337c2f3-15
0.583
GIA-UNK-7337c2f3-7
0.582
GIA-UNK-7337c2f3-4
0.582
GIA-UNK-7337c2f3-12
0.557
MED-COV-4280ac29-6
0.530
GIA-UNK-7337c2f3-14
0.519
MED-COV-4280ac29-18
0.514
GIA-UNK-7337c2f3-3
0.507
GIA-UNK-7337c2f3-6
0.507
MED-COV-4280ac29-23
0.507
GIA-UNK-7337c2f3-9
0.493
MED-COV-4280ac29-7
0.461
GIA-UNK-20b63697-7
0.457
GIA-UNK-4de5abb1-4
0.455
MAR-TRE-6a44bbf2-92
0.443
GIA-UNK-20b63697-1
0.438
MAK-UNK-6ca90168-12
0.433
SEL-UNI-cd366922-5
0.432
GIA-UNK-4de5abb1-2
0.432
GIA-UNK-20b63697-6
0.427
SEA-TRI-8222e606-1
0.425
GIA-UNK-20b63697-8
0.423
NEH-REV-107bcf72-2
0.422
WAL-WAB-df110a02-2
0.420
PAU-WEI-3e86dfd8-2
0.420
GIA-UNK-4de5abb1-5
0.418
SEA-TRI-2c7f3de8-1
0.415
SIM-SYN-f15aaa3a-2
0.415
GIA-UNK-20b63697-2
0.410
GIA-UNK-20b63697-3
0.410
GIA-UNK-20b63697-4
0.410
GIA-UNK-20b63697-5
0.410
MED-COV-4280ac29-21
0.409
SEL-UNI-cd366922-2
0.403
GIA-UNK-20b63697-9
0.402
MAK-UNK-af83ef51-2
0.387
PAU-WEI-b9b69149-1
0.381
AHN-SAT-de2502ba-7
0.380
GIA-UNK-c4371e97-3
0.378
MAK-UNK-6ca90168-11
0.375
MED-COV-dea4df70-1
0.366
GIA-UNK-c4371e97-2
0.365
MAR-TRE-6a44bbf2-28
0.365
MAK-UNK-7c9d1431-23
0.365
NIM-UNI-ed9fc491-3
0.363
DRR-IMP-38dce17f-3
0.362
MAK-UNK-7c9d1431-24
0.362
MAK-UNK-987948f6-2
0.362
MIH-UNI-e573136b-7
0.361
MAK-UNK-15efde89-1
0.360
MAK-UNK-10dfa458-39
0.359
PAU-WEI-b9b69149-4
0.356
MED-COV-4280ac29-34
0.354
NIM-UNI-05f93fcc-2
0.354
MAK-UNK-af83ef51-1
0.350
SWA-SYN-6423ea73-1
0.347
SWA-SYN-d2e6fa14-1
0.347
SAD-SAT-65574d3f-1
0.347
AHN-SAT-de2502ba-14
0.347
AHN-SAT-de2502ba-1
0.346
MAK-UNK-7c9d1431-9
0.342
MAR-TRE-6a44bbf2-21
0.342
SEL-UNI-cd366922-9
0.341
MAK-UNK-7c9d1431-28
0.338
GIA-UNK-c4371e97-1
0.337
DAR-DIA-3e9bbd81-15
0.337
MAK-UNK-849bee6c-7
0.333
DAR-DIA-3e9bbd81-3
0.330
YOI-UNK-a533afbc-6
0.329
YOI-UNK-12211982-6
0.329
STE-KUL-2e0d2e88-1
0.329
AAR-POS-d2a4d1df-24
0.329
SAD-SAT-65574d3f-9
0.324
PAU-WEI-3e86dfd8-1
0.323
PAU-WEI-b9b69149-3
0.322
MAK-UNK-7c9d1431-27
0.321
MAR-TRE-6a44bbf2-77
0.321
MAK-UNK-6ca90168-15
0.320
SAD-SAT-5b1897b2-4
0.320
MIH-UNI-e573136b-6
0.319
NIM-UNI-310206f0-1
0.317
BEN-DND-03406596-1
0.317
BEN-DND-76ad4ac9-9
0.317
ANT-OPE-7824651a-2
0.316
NIL-NON-a189c016-1
0.316
DRR-IMP-db50bf6e-2
0.316
MAT-POS-162a9720-2
0.316
MAK-UNK-df1a028e-9
0.316
WAR-XCH-79d12f6e-7
0.316
JOH-UNI-0e1753c1-3
0.316