Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1 |
MW: | 346.12 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SIM-SYN-f15aaa3a-1
0.800
GIA-UNK-7337c2f3-1
0.737
GIA-UNK-7337c2f3-7
0.724
GIA-UNK-7337c2f3-12
0.717
GIA-UNK-7337c2f3-10
0.712
GIA-UNK-7337c2f3-5
0.689
GIA-UNK-4de5abb1-1
0.629
DAR-DIA-3e9bbd81-12
0.619
GIA-UNK-7337c2f3-2
0.619
GIA-UNK-7337c2f3-8
0.609
GIA-UNK-7337c2f3-6
0.603
GIA-UNK-7337c2f3-13
0.597
GIA-UNK-7337c2f3-15
0.588
GIA-UNK-7337c2f3-11
0.582
DAR-DIA-3e9bbd81-11
0.574
GIA-UNK-7337c2f3-3
0.554
GIA-UNK-7337c2f3-9
0.537
MED-COV-4280ac29-18
0.515
MED-COV-4280ac29-6
0.508
MED-COV-4280ac29-23
0.507
MAK-UNK-6ca90168-12
0.500
GIA-UNK-4de5abb1-4
0.493
SEL-UNI-cd366922-5
0.493
MAR-TRE-6a44bbf2-92
0.484
GIA-UNK-7337c2f3-14
0.480
GIA-UNK-20b63697-7
0.477
GIA-UNK-4de5abb1-5
0.472
GIA-UNK-20b63697-6
0.464
GIA-UNK-20b63697-1
0.456
GIA-UNK-20b63697-2
0.444
GIA-UNK-20b63697-4
0.444
MED-COV-4280ac29-7
0.438
GIA-UNK-20b63697-8
0.438
MED-COV-4280ac29-21
0.437
SEL-UNI-cd366922-2
0.437
MAT-POS-162a9720-4
0.435
DRR-IMP-db50bf6e-1
0.429
GIA-UNK-20b63697-3
0.425
GIA-UNK-20b63697-5
0.425
GIA-UNK-c4371e97-2
0.418
PAU-WEI-3e86dfd8-2
0.416
GIA-UNK-20b63697-9
0.416
GIA-UNK-4de5abb1-2
0.410
MAK-UNK-6ca90168-11
0.409
KAY-MCD-d0fe5261-1
0.403
MAR-TRE-6a44bbf2-58
0.403
DRR-IMP-dff87f5e-1
0.403
SEA-TRI-8222e606-1
0.403
MAK-UNK-af83ef51-2
0.400
WAL-WAB-df110a02-2
0.397
MAK-UNK-987948f6-2
0.397
MAK-UNK-7c9d1431-24
0.397
DRR-IMP-38dce17f-3
0.397
AHN-SAT-de2502ba-7
0.394
SEA-TRI-2c7f3de8-1
0.392
SIM-SYN-f15aaa3a-2
0.392
PAU-WEI-b9b69149-1
0.392
YOI-UNK-12211982-6
0.390
YOI-UNK-a533afbc-6
0.390
MAK-UNK-10dfa458-39
0.389
NEH-REV-107bcf72-2
0.383
SAD-SAT-5b1897b2-10
0.379
MAR-TRE-6a44bbf2-47
0.375
AHN-SAT-de2502ba-1
0.373
MAR-TRE-6a44bbf2-21
0.373
MAK-UNK-7c9d1431-9
0.373
GIA-UNK-c4371e97-3
0.372
MIH-UNI-e573136b-7
0.372
DRR-IMP-38dce17f-2
0.371
BEN-DND-03406596-10
0.371
LON-WEI-8f408cad-4
0.371
AAR-POS-d2a4d1df-23
0.371
MAR-TRE-6a44bbf2-18
0.371
DRR-IMP-dff87f5e-5
0.366
MAR-TRE-6a44bbf2-8
0.366
AAR-POS-d2a4d1df-34
0.366
MAR-TRE-6a44bbf2-77
0.366
PAU-WEI-b9b69149-4
0.365
DAR-DIA-fb20be43-2
0.364
GIA-UNK-c4371e97-1
0.364
AAR-POS-0daf6b7e-16
0.358
AAR-POS-d2a4d1df-32
0.357
MAR-TRE-6a44bbf2-28
0.357
SAD-SAT-65574d3f-1
0.357
MAR-TRE-6a44bbf2-4
0.357
LON-WEI-8f408cad-2
0.357
MAK-UNK-7c9d1431-23
0.357
AHN-SAT-de2502ba-14
0.357
NIM-UNI-ed9fc491-3
0.356
SAD-SAT-5b1897b2-3
0.353
DRR-IMP-38dce17f-1
0.353
SAD-SAT-1b030f84-9
0.353
MAK-UNK-15efde89-1
0.352
KAT-UNK-48001bce-1
0.352
KAT-MCD-525c981a-1
0.352
SEL-UNI-cd366922-9
0.350
MED-COV-4280ac29-34
0.348
MAK-UNK-7c9d1431-28
0.348
LON-WEI-120e5cf5-5
0.347
MAK-UNK-7c9d1431-27
0.347