Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)c2cc(-c3ccccc3)on2)CC1 |
MW: | 395.14 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 49.58 |
cLogP: | 3.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SIM-SYN-f15aaa3a-1
0.554
GIA-UNK-7337c2f3-10
0.534
GIA-UNK-7337c2f3-11
0.519
GIA-UNK-4de5abb1-1
0.493
GIA-UNK-7337c2f3-2
0.487
DAR-DIA-3e9bbd81-12
0.487
GIA-UNK-7337c2f3-1
0.486
GIA-UNK-7337c2f3-8
0.481
GIA-UNK-7337c2f3-9
0.481
GIA-UNK-7337c2f3-5
0.481
GIA-UNK-7337c2f3-7
0.480
GIA-UNK-7337c2f3-4
0.480
GIA-UNK-7337c2f3-13
0.475
GIA-UNK-7337c2f3-3
0.474
GIA-UNK-7337c2f3-6
0.474
GIA-UNK-7337c2f3-12
0.462
DAR-DIA-3e9bbd81-11
0.457
GIA-UNK-7337c2f3-15
0.451
GIA-UNK-20b63697-7
0.427
MED-COV-4280ac29-6
0.413
MAR-TRE-6a44bbf2-92
0.413
GIA-UNK-20b63697-1
0.410
SEL-UNI-cd366922-5
0.405
GIA-UNK-20b63697-2
0.402
NEH-REV-107bcf72-2
0.398
MED-COV-4280ac29-18
0.390
GIA-UNK-20b63697-5
0.386
MED-COV-4280ac29-23
0.386
GIA-UNK-20b63697-6
0.383
GIA-UNK-20b63697-8
0.381
GIA-UNK-20b63697-9
0.379
SEL-UNI-cd366922-2
0.378
GIA-UNK-20b63697-3
0.369
GIA-UNK-20b63697-4
0.369
SEA-TRI-8222e606-1
0.368
MED-COV-4280ac29-7
0.365
PAU-WEI-3e86dfd8-2
0.364
WAL-WAB-df110a02-2
0.364
GIA-UNK-4de5abb1-5
0.360
GIA-UNK-4de5abb1-4
0.360
MED-COV-4280ac29-21
0.360
SEA-TRI-2c7f3de8-1
0.360
SIM-SYN-f15aaa3a-2
0.360
NIM-UNI-ed9fc491-3
0.358
MAK-UNK-6ca90168-11
0.351
NIM-UNI-05f93fcc-2
0.349
MAK-UNK-6ca90168-12
0.347
MAK-UNK-af83ef51-2
0.346
MAK-UNK-af83ef51-1
0.345
MED-COV-dea4df70-1
0.345
PAU-WEI-b9b69149-1
0.344
GIA-UNK-4de5abb1-2
0.344
GIA-UNK-c4371e97-2
0.342
AHN-SAT-de2502ba-1
0.341
MAK-UNK-987948f6-2
0.338
MAK-UNK-7c9d1431-24
0.338
DRR-IMP-38dce17f-3
0.338
AHN-SAT-de2502ba-7
0.338
MAK-UNK-10dfa458-39
0.337
MIH-UNI-e573136b-7
0.326
SAD-SAT-65574d3f-1
0.325
MAR-TRE-6a44bbf2-28
0.325
AHN-SAT-de2502ba-14
0.325
MAK-UNK-7c9d1431-23
0.325
AAR-POS-0daf6b7e-16
0.325
PAU-WEI-b9b69149-4
0.323
MED-COV-4280ac29-25
0.322
MED-COV-4280ac29-8
0.322
MAK-UNK-15efde89-1
0.321
MAK-UNK-7c9d1431-9
0.321
MAR-TRE-6a44bbf2-21
0.321
PAU-WEI-3e86dfd8-1
0.320
GIA-UNK-c4371e97-1
0.318
LON-WEI-8f408cad-5
0.316
AAR-POS-0daf6b7e-17
0.316
YOI-UNK-a533afbc-6
0.311
GIA-UNK-c4371e97-3
0.311
YOI-UNK-12211982-6
0.311
MED-COV-4280ac29-34
0.311
MAK-UNK-6ca90168-3
0.310
STE-KUL-2e0d2e88-1
0.310
SAD-SAT-29425be4-16
0.309
MAK-UNK-6ca90168-4
0.309
NAU-LAT-64f4b287-3
0.308
SEL-UNI-cd366922-9
0.308
MAK-UNK-6ca90168-10
0.304
SAD-SAT-5b1897b2-3
0.304
MIH-UNI-e573136b-6
0.302
MAK-UNK-7c9d1431-27
0.301
MAR-TRE-6a44bbf2-77
0.301
DRR-IMP-38dce17f-5
0.300
MAK-UNK-7c9d1431-28
0.300
BEN-DND-76ad4ac9-9
0.299
BEN-DND-03406596-1
0.299
NIM-UNI-ed9fc491-4
0.298
MAK-UNK-df1a028e-9
0.298
WAR-XCH-79d12f6e-7
0.298
DRR-IMP-db50bf6e-2
0.298
AAR-POS-d2a4d1df-22
0.296
MAR-TRE-6a44bbf2-52
0.296