Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 |
MW: | 396.12 |
Fraction sp3: | 0.35 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 4.18 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
high halogen content (>3)
SIM-SYN-f15aaa3a-1
0.755
GIA-UNK-7337c2f3-4
0.717
GIA-UNK-7337c2f3-1
0.700
GIA-UNK-7337c2f3-13
0.692
GIA-UNK-7337c2f3-7
0.689
GIA-UNK-7337c2f3-10
0.677
GIA-UNK-7337c2f3-2
0.615
DAR-DIA-3e9bbd81-12
0.615
GIA-UNK-7337c2f3-5
0.606
GIA-UNK-7337c2f3-8
0.606
GIA-UNK-4de5abb1-1
0.600
GIA-UNK-7337c2f3-15
0.563
GIA-UNK-7337c2f3-11
0.557
GIA-UNK-7337c2f3-6
0.552
DAR-DIA-3e9bbd81-11
0.549
GIA-UNK-7337c2f3-3
0.529
GIA-UNK-7337c2f3-9
0.514
MED-COV-4280ac29-18
0.514
MED-COV-4280ac29-6
0.508
MED-COV-4280ac29-23
0.507
MAK-UNK-6ca90168-12
0.476
MAR-TRE-6a44bbf2-92
0.463
GIA-UNK-7337c2f3-14
0.462
MED-COV-4280ac29-7
0.459
GIA-UNK-20b63697-7
0.456
GIA-UNK-4de5abb1-5
0.453
PAU-WEI-b9b69149-2
0.451
SEL-UNI-cd366922-5
0.451
GIA-UNK-20b63697-1
0.437
GIA-UNK-4de5abb1-4
0.434
DRR-IMP-dff87f5e-6
0.429
GIA-UNK-20b63697-2
0.427
GIA-UNK-20b63697-6
0.425
GIA-UNK-20b63697-8
0.421
PAU-WEI-b9b69149-5
0.420
SEL-UNI-cd366922-2
0.419
SIM-SYN-f15aaa3a-2
0.412
GIA-UNK-20b63697-4
0.408
GIA-UNK-20b63697-3
0.408
GIA-UNK-20b63697-5
0.408
MED-COV-4280ac29-21
0.407
SEA-TRI-8222e606-1
0.405
NIL-NON-a189c016-1
0.403
MAT-POS-162a9720-2
0.403
WAL-WAB-df110a02-2
0.400
GIA-UNK-4de5abb1-2
0.395
MAK-UNK-6ca90168-11
0.391
MAK-UNK-af83ef51-2
0.384
GIA-UNK-20b63697-9
0.383
PAU-WEI-3e86dfd8-2
0.383
GIA-UNK-c4371e97-2
0.380
DRR-IMP-38dce17f-3
0.379
MAK-UNK-987948f6-2
0.379
MAK-UNK-7c9d1431-24
0.379
PAU-WEI-b9b69149-1
0.378
NIM-UNI-05f93fcc-10
0.378
SEA-TRI-2c7f3de8-1
0.378
AHN-SAT-de2502ba-7
0.377
IND-SYN-6c8299e8-2
0.377
MIH-UNI-e573136b-7
0.375
MAK-UNK-10dfa458-39
0.373
NEH-REV-107bcf72-2
0.369
AHN-SAT-de2502ba-14
0.361
SAD-SAT-65574d3f-1
0.361
MED-COV-4280ac29-29
0.360
PAU-WEI-b9b69149-9
0.359
AHN-SAT-de2502ba-1
0.359
YOI-UNK-a533afbc-6
0.358
YOI-UNK-12211982-6
0.358
MAR-TRE-6a44bbf2-21
0.357
MAK-UNK-7c9d1431-9
0.357
SEL-UNI-cd366922-9
0.354
PAU-WEI-b9b69149-4
0.352
MAR-TRE-6a44bbf2-77
0.351
NIM-UNI-ed9fc491-3
0.344
SAD-SAT-5b1897b2-10
0.343
AAR-POS-0daf6b7e-16
0.343
MAR-TRE-6a44bbf2-28
0.342
AAR-POS-0daf6b7e-5
0.342
AAR-POS-d2a4d1df-24
0.342
MAK-UNK-7c9d1431-23
0.342
STE-KUL-2e0d2e88-1
0.342
GIA-UNK-c4371e97-3
0.341
MAK-UNK-15efde89-1
0.338
MAK-UNK-7c9d1431-28
0.333
SAD-SAT-5b1897b2-4
0.333
AAR-POS-0daf6b7e-17
0.333
GIA-UNK-c4371e97-1
0.333
SAD-SAT-1b030f84-9
0.333
LON-WEI-8f408cad-5
0.333
AAR-POS-d2a4d1df-34
0.333
DRR-IMP-dff87f5e-5
0.333
JOH-UNI-27ac80fd-30
0.333
MAR-TRE-6a44bbf2-8
0.333
MAK-UNK-7c9d1431-27
0.333
MIH-UNI-e573136b-6
0.330
MED-COV-dea4df70-1
0.329
MAK-UNK-df1a028e-9
0.329
AHN-SAT-de2502ba-15
0.329
WAR-XCH-79d12f6e-7
0.329