Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2cccc(F)c2)c2cc(Cl)cc(Cl)c2)CC1 |
MW: | 414.05 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 4.6 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
high halogen content (>3)
GIA-UNK-7337c2f3-5
0.703
GIA-UNK-4de5abb1-1
0.672
GIA-UNK-4de5abb1-2
0.657
MED-COV-4280ac29-6
0.603
GIA-UNK-4de5abb1-5
0.577
DAR-DIA-3e9bbd81-12
0.543
GIA-UNK-7337c2f3-2
0.543
MED-COV-4280ac29-18
0.535
MED-COV-4280ac29-7
0.521
SIM-SYN-f15aaa3a-1
0.500
GIA-UNK-7337c2f3-4
0.493
SEA-TRI-8222e606-1
0.481
GIA-UNK-7337c2f3-1
0.479
PAU-WEI-3e86dfd8-2
0.474
GIA-UNK-7337c2f3-8
0.473
SEA-TRI-2c7f3de8-1
0.468
GIA-UNK-7337c2f3-13
0.468
MED-COV-4280ac29-23
0.467
GIA-UNK-7337c2f3-11
0.455
DAR-DIA-3e9bbd81-11
0.449
MAR-TRE-6a44bbf2-18
0.437
LON-WEI-8f408cad-4
0.437
AAR-POS-d2a4d1df-23
0.437
BEN-DND-03406596-10
0.437
DRR-IMP-38dce17f-2
0.437
GIA-UNK-7337c2f3-12
0.434
GIA-UNK-4de5abb1-3
0.434
GIA-UNK-7337c2f3-7
0.432
SIM-SYN-f15aaa3a-2
0.432
GIA-UNK-7337c2f3-6
0.427
GIA-UNK-7337c2f3-3
0.427
GIA-UNK-7337c2f3-10
0.427
GIA-UNK-7337c2f3-15
0.425
WAL-WAB-df110a02-2
0.420
NEH-REV-107bcf72-2
0.405
MED-COV-4280ac29-34
0.398
PAU-WEI-b9b69149-1
0.398
GIA-UNK-20b63697-7
0.397
MAR-TRE-6a44bbf2-3
0.392
PAU-UNI-8cdd41c7-1
0.391
GIA-UNK-c4371e97-1
0.388
BEN-DND-76ad4ac9-4
0.387
PAU-WEI-b9b69149-2
0.386
PAU-WEI-b9b69149-3
0.384
SAD-SAT-581007d4-1
0.384
GIA-UNK-20b63697-1
0.382
BEN-DND-76ad4ac9-7
0.382
BEN-DND-76ad4ac9-14
0.380
GIA-UNK-7337c2f3-9
0.380
BEN-DND-03406596-3
0.380
SAD-SAT-bc31ec01-5
0.375
HYO-UNK-49a60884-1
0.370
JOH-UNI-0e1753c1-3
0.370
AAR-POS-d2a4d1df-35
0.370
MED-COV-4280ac29-15
0.370
DRR-IMP-dff87f5e-8
0.368
DAR-DIA-3e9bbd81-15
0.367
MAR-TRE-6a44bbf2-92
0.365
MIH-UNI-e573136b-7
0.361
DRR-IMP-dff87f5e-4
0.361
DRR-IMP-38dce17f-1
0.361
SAD-SAT-65574d3f-9
0.361
GIA-UNK-7337c2f3-14
0.360
SEL-UNI-cd366922-5
0.359
KAT-UNK-b2a0d5b1-1
0.359
SEL-UNI-cd366922-9
0.357
MAK-UNK-6ca90168-15
0.356
GIA-UNK-20b63697-6
0.354
DAR-DIA-fb20be43-2
0.354
GIA-UNK-20b63697-8
0.354
PAU-WEI-3e86dfd8-1
0.352
ABB-MCD-f8003a30-1
0.351
MAK-UNK-7c9d1431-10
0.351
AHN-SAT-de2502ba-15
0.351
MAR-TRE-6a44bbf2-32
0.351
SEL-UNI-cd366922-2
0.350
JAR-KUA-8c13982c-20
0.348
MAR-TRE-6a44bbf2-4
0.347
LON-WEI-8f408cad-2
0.347
AAR-POS-d2a4d1df-32
0.347
MED-COV-4280ac29-29
0.346
IND-SYN-6c8299e8-2
0.346
KAI-MCD-cb49037b-1
0.342
JON-MCD-47e58de1-1
0.341
MAK-UNK-7c9d1431-29
0.338
MAT-POS-162a9720-4
0.338
DRR-IMP-dff87f5e-5
0.338
AAR-POS-d2a4d1df-34
0.338
MAR-TRE-6a44bbf2-8
0.338
DAR-DIA-fb20be43-8
0.333
PAU-UNI-19862c28-1
0.333
MAK-UNK-af83ef51-2
0.333
DRR-IMP-db50bf6e-1
0.333
MED-COV-4280ac29-11
0.333
DRR-IMP-dff87f5e-1
0.333
KAY-MCD-d0fe5261-1
0.333
MAR-TRE-6a44bbf2-58
0.333
GIA-UNK-c4371e97-3
0.329
BEN-DND-76ad4ac9-3
0.329
MED-COV-4280ac29-12
0.329