Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(Cl)c2)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-7337c2f3-2
1.000
MED-COV-4280ac29-6
0.830
MED-COV-4280ac29-18
0.780
SIM-SYN-f15aaa3a-1
0.736
GIA-UNK-4de5abb1-1
0.717
MED-COV-4280ac29-7
0.698
GIA-UNK-7337c2f3-5
0.694
GIA-UNK-7337c2f3-8
0.694
GIA-UNK-7337c2f3-1
0.683
GIA-UNK-7337c2f3-11
0.662
DAR-DIA-3e9bbd81-11
0.652
GIA-UNK-7337c2f3-13
0.652
GIA-UNK-7337c2f3-4
0.619
GIA-UNK-7337c2f3-7
0.619
SEA-TRI-8222e606-1
0.618
GIA-UNK-7337c2f3-15
0.618
GIA-UNK-7337c2f3-12
0.615
GIA-UNK-7337c2f3-10
0.609
PAU-WEI-3e86dfd8-2
0.609
SEA-TRI-2c7f3de8-1
0.600
GIA-UNK-7337c2f3-3
0.561
GIA-UNK-c4371e97-3
0.557
GIA-UNK-4de5abb1-4
0.543
GIA-UNK-7337c2f3-6
0.537
MED-COV-4280ac29-23
0.536
PAU-WEI-b9b69149-1
0.534
GIA-UNK-20b63697-7
0.531
GIA-UNK-7337c2f3-9
0.522
GIA-UNK-4de5abb1-2
0.514
GIA-UNK-20b63697-1
0.507
GIA-UNK-4de5abb1-5
0.500
MED-COV-4280ac29-34
0.500
DAR-DIA-3e9bbd81-3
0.487
GIA-UNK-7337c2f3-14
0.487
MAR-TRE-6a44bbf2-92
0.470
DAR-DIA-3e9bbd81-15
0.469
GIA-UNK-20b63697-8
0.466
MAK-UNK-6ca90168-12
0.460
SEL-UNI-cd366922-5
0.457
PAU-WEI-b9b69149-3
0.456
SIM-SYN-f15aaa3a-2
0.455
HYO-UNK-49a60884-1
0.455
AAR-POS-d2a4d1df-35
0.455
JOH-UNI-0e1753c1-3
0.455
MED-COV-4280ac29-15
0.455
GIA-UNK-20b63697-6
0.451
SAD-SAT-65574d3f-9
0.446
WAL-WAB-df110a02-2
0.442
MAK-UNK-6ca90168-15
0.439
PAU-WEI-b9b69149-2
0.439
GIA-UNK-20b63697-3
0.432
GIA-UNK-20b63697-2
0.432
GIA-UNK-20b63697-4
0.432
GIA-UNK-20b63697-5
0.432
MAK-UNK-af83ef51-2
0.429
NEH-REV-107bcf72-2
0.425
SEL-UNI-cd366922-2
0.425
AHN-SAT-de2502ba-1
0.419
MAK-UNK-10799360-36
0.413
MED-COV-4280ac29-21
0.411
DRR-IMP-dff87f5e-8
0.408
GIA-UNK-c4371e97-1
0.408
DRR-IMP-38dce17f-3
0.406
MAK-UNK-7c9d1431-24
0.406
MAK-UNK-7c9d1431-23
0.406
GIA-UNK-c4371e97-2
0.406
MAR-TRE-6a44bbf2-28
0.406
GIA-UNK-20b63697-9
0.405
AHN-SAT-de2502ba-7
0.403
MED-COV-4280ac29-12
0.403
MED-COV-4280ac29-29
0.403
MAK-UNK-10dfa458-39
0.397
MAK-UNK-6ca90168-11
0.397
NIM-UNI-ed9fc491-3
0.395
MAK-UNK-ec98eaf6-6
0.395
PAU-WEI-b9b69149-4
0.388
MED-COV-4280ac29-11
0.387
MAK-UNK-987948f6-2
0.385
MAK-UNK-15efde89-1
0.380
MIH-UNI-e573136b-7
0.380
PAU-WEI-3e86dfd8-1
0.368
SWA-SYN-d2e6fa14-1
0.366
AAR-POS-d2a4d1df-24
0.366
SWA-SYN-6423ea73-1
0.366
MAK-UNK-ec98eaf6-1
0.365
GIA-UNK-4de5abb1-3
0.364
MAK-UNK-7c9d1431-9
0.362
MAR-TRE-6a44bbf2-21
0.362
MAK-UNK-7c9d1431-29
0.358
SEL-UNI-cd366922-9
0.358
MAK-UNK-7c9d1431-27
0.356
AAR-POS-0daf6b7e-10
0.353
PAU-UNI-8cdd41c7-1
0.353
BEN-DND-03406596-1
0.351
BEN-DND-76ad4ac9-9
0.351
PAU-UNI-19862c28-1
0.350
DAR-DIA-fb20be43-8
0.350
MAK-UNK-7c9d1431-12
0.347
AHN-SAT-de2502ba-14
0.347
SAD-SAT-65574d3f-1
0.347