Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cc(F)cc(Cl)c2)CC1 |
MW: | 304.05 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.36 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
PAU-UNI-8cdd41c7-1
0.735
SAD-SAT-581007d4-2
0.667
MAT-POS-2db6411e-2
0.667
SAD-SAT-581007d4-7
0.667
MED-COV-4280ac29-33
0.600
SAD-SAT-581007d4-3
0.600
DRR-IMP-38dce17f-2
0.569
AAR-POS-d2a4d1df-35
0.561
MED-COV-4280ac29-15
0.561
HYO-UNK-49a60884-1
0.561
JOH-UNI-0e1753c1-3
0.561
MAK-UNK-7c9d1431-29
0.556
DRR-IMP-38dce17f-6
0.518
DRR-IMP-38dce17f-3
0.509
MAK-UNK-7c9d1431-24
0.509
SAD-SAT-5b1897b2-5
0.484
DRR-IMP-38dce17f-4
0.483
SAD-SAT-581007d4-4
0.477
AAR-POS-d2a4d1df-24
0.475
JIA-UNI-93b03cae-1
0.475
AAR-POS-0daf6b7e-13
0.475
DRR-IMP-38dce17f-1
0.475
MAK-UNK-212f693e-8
0.475
LON-WEI-8f408cad-7
0.475
MAK-UNK-6ca90168-14
0.467
SAD-SAT-bc31ec01-1
0.467
DRR-IMP-38dce17f-7
0.467
MAK-UNK-7c9d1431-14
0.462
KIM-UNI-2ee5d8f9-1
0.458
AHN-SAT-de2502ba-15
0.453
MAK-UNK-af83ef51-1
0.448
JOK-SYG-18591e8f-1
0.446
KAI-MCD-cb49037b-1
0.444
SAD-SAT-5b1897b2-2
0.444
TAM-UNI-d1c3dd9f-16
0.443
DRR-IMP-38dce17f-5
0.443
LON-WEI-8f408cad-5
0.443
AAR-POS-0daf6b7e-17
0.443
AAR-POS-0daf6b7e-2
0.443
MAT-POS-ee51dedd-1
0.439
MAK-UNK-7c9d1431-16
0.439
MAR-TRE-6a44bbf2-54
0.439
AAR-POS-d2a4d1df-40
0.433
MED-COV-4280ac29-31
0.433
DAR-DIA-fb20be43-2
0.429
HYO-UNK-50298ba0-1
0.429
JOO-PER-58e158bd-1
0.425
PAU-UNI-19862c28-1
0.423
DAR-DIA-fb20be43-8
0.423
NEH-REV-107bcf72-5
0.422
SAD-SAT-581007d4-8
0.422
MAK-UNK-7c9d1431-28
0.419
MAK-UNK-7c9d1431-18
0.414
JOH-UNI-27ac80fd-23
0.413
MAR-LAB-ca4662a6-2
0.413
AAR-POS-0daf6b7e-12
0.413
DAR-DIA-fb20be43-1
0.411
MAK-UNK-7c9d1431-21
0.409
MAK-UNK-7c9d1431-20
0.406
MED-COV-4280ac29-37
0.403
MAT-POS-162a9720-4
0.400
ASH-SAT-43770c7d-5
0.400
SEL-UNI-cd366922-7
0.397
SAD-SAT-65574d3f-10
0.397
DAV-CRI-d1e0885a-1
0.397
TAM-UNI-d1c3dd9f-6
0.395
MAK-UNK-849bee6c-9
0.395
NEH-REV-107bcf72-3
0.394
DRR-IMP-db50bf6e-1
0.393
SAD-SAT-1b030f84-9
0.391
SAD-SAT-581007d4-5
0.391
DAR-DIA-fb20be43-12
0.390
TAM-UNI-d1c3dd9f-12
0.390
STE-KUL-2e0d2e88-7
0.389
GIA-UNK-4de5abb1-4
0.384
MAK-UNK-849bee6c-6
0.383
MAK-UNK-176ca439-2
0.383
MAR-TRE-6a44bbf2-47
0.382
MIH-UNI-e573136b-4
0.382
MAK-UNK-849bee6c-7
0.382
MAK-UNK-849bee6c-2
0.381
SAD-SAT-65574d3f-9
0.381
MAK-UNK-849bee6c-17
0.381
MAK-UNK-849bee6c-19
0.381
DAR-DIA-fb20be43-10
0.378
STU-CHA-bc0a9883-1
0.378
NAU-LAT-f723e322-1
0.378
JOK-SYG-302da050-1
0.378
DAR-DIA-fb20be43-11
0.378
DAR-DIA-fb20be43-15
0.378
DRR-IMP-db50bf6e-3
0.377
KAT-UNK-b2a0d5b1-1
0.377
MAK-UNK-176ca439-3
0.377
TAM-UNI-d1c3dd9f-5
0.377
MAK-UNK-cd94b63c-1
0.377
JOH-UNI-27ac80fd-38
0.375
MAR-TRE-6a44bbf2-3
0.375
PAU-UNI-b2b6b158-1
0.375
TOB-UNK-c2aba166-1
0.375
SAD-SAT-bc31ec01-5
0.375