Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2Cl)CC1 |
MW: | 362.1 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
GIA-UNK-7337c2f3-6
0.700
GIA-UNK-7337c2f3-9
0.677
SIM-SYN-f15aaa3a-1
0.655
GIA-UNK-7337c2f3-1
0.587
GIA-UNK-4de5abb1-1
0.569
GIA-UNK-7337c2f3-2
0.561
DAR-DIA-3e9bbd81-12
0.561
GIA-UNK-7337c2f3-4
0.554
GIA-UNK-7337c2f3-7
0.554
GIA-UNK-7337c2f3-5
0.552
GIA-UNK-7337c2f3-10
0.545
GIA-UNK-7337c2f3-8
0.529
GIA-UNK-7337c2f3-12
0.529
GIA-UNK-7337c2f3-15
0.514
GIA-UNK-7337c2f3-11
0.507
MED-COV-4280ac29-21
0.500
GIA-UNK-7337c2f3-13
0.500
DAR-DIA-3e9bbd81-11
0.500
MED-COV-4280ac29-6
0.477
MAR-TRE-6a44bbf2-92
0.477
GIA-UNK-7337c2f3-14
0.474
GIA-UNK-20b63697-7
0.470
SEL-UNI-cd366922-5
0.464
GIA-UNK-20b63697-6
0.457
SEL-UNI-cd366922-2
0.451
GIA-UNK-20b63697-1
0.449
MED-COV-4280ac29-18
0.444
GIA-UNK-20b63697-2
0.438
GIA-UNK-20b63697-3
0.438
GIA-UNK-20b63697-4
0.438
GIA-UNK-20b63697-5
0.438
GIA-UNK-20b63697-8
0.432
GIA-UNK-4de5abb1-5
0.427
GIA-UNK-4de5abb1-4
0.427
MAK-UNK-6ca90168-11
0.424
GIA-UNK-4de5abb1-2
0.423
MED-COV-4280ac29-23
0.419
MED-COV-4280ac29-7
0.413
GIA-UNK-20b63697-9
0.410
YOI-UNK-12211982-6
0.403
YOI-UNK-a533afbc-6
0.403
MAK-UNK-6ca90168-12
0.400
SEA-TRI-8222e606-1
0.397
MAK-UNK-af83ef51-2
0.394
PAU-WEI-3e86dfd8-2
0.392
MAK-UNK-7c9d1431-12
0.391
GIA-UNK-c4371e97-2
0.391
MAK-UNK-987948f6-2
0.391
DRR-IMP-38dce17f-3
0.391
MAK-UNK-7c9d1431-24
0.391
MAK-UNK-7c9d1431-9
0.388
MAR-TRE-6a44bbf2-21
0.388
AHN-SAT-de2502ba-7
0.388
DRR-IMP-38dce17f-1
0.388
PAU-WEI-b9b69149-1
0.388
SEA-TRI-2c7f3de8-1
0.388
SIM-SYN-f15aaa3a-2
0.388
NIM-UNI-05f93fcc-3
0.385
MAK-UNK-10dfa458-39
0.384
WAL-WAB-df110a02-2
0.375
MED-COV-4280ac29-34
0.374
AHN-SAT-de2502ba-1
0.368
DRR-IMP-dff87f5e-4
0.368
NEH-REV-107bcf72-2
0.361
MAR-TRE-6a44bbf2-77
0.361
GIA-UNK-c4371e97-1
0.359
PAU-WEI-3e86dfd8-1
0.356
AHN-SAT-de2502ba-15
0.356
MAK-UNK-6ca90168-8
0.355
NIM-UNI-ed9fc491-3
0.352
SAD-SAT-3a925b8b-6
0.352
AHN-SAT-de2502ba-14
0.352
SAD-SAT-65574d3f-1
0.352
MAR-TRE-6a44bbf2-28
0.352
MAK-UNK-7c9d1431-23
0.352
MAK-UNK-704ed37c-11
0.351
MAK-UNK-6ca90168-7
0.351
GIA-UNK-c4371e97-3
0.350
MIH-UNI-e573136b-7
0.350
SAD-SAT-5b1897b2-3
0.348
MAK-UNK-6ca90168-10
0.348
MAK-UNK-15efde89-1
0.347
SAD-SAT-1b030f84-9
0.346
PAU-WEI-b9b69149-4
0.345
MAR-TRE-6a44bbf2-8
0.342
DRR-IMP-dff87f5e-5
0.342
MAK-UNK-7c9d1431-27
0.342
AAR-POS-d2a4d1df-34
0.342
DAR-DIA-3e9bbd81-15
0.341
AAR-POS-d2a4d1df-22
0.338
MAR-TRE-6a44bbf2-52
0.338
LON-WEI-8f408cad-3
0.338
MAK-UNK-df1a028e-9
0.338
WAR-XCH-79d12f6e-7
0.338
MED-COV-dea4df70-1
0.338
SWA-SYN-d2e6fa14-1
0.333
AAR-POS-0daf6b7e-16
0.333
PAU-WEI-b9b69149-7
0.333
SAD-SAT-5b1897b2-10
0.333
STE-KUL-2e0d2e88-1
0.333