Chemoinformaics analysis of Liovil
Molecular Weight | 376.405 | nRot | 6 |
Heavy Atom Molecular Weight | 352.213 | nRig | 17 |
Exact Molecular Weight | 376.152 | nRing | 3 |
Solubility: LogS | -3.028 | nHRing | 1 |
Solubility: LogP | 0.852 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 7 | APOL | 55.017 |
nHD | 4 | BPOL | 29.285 |
QED | 0.612 |
Synth | 3.79 |
Natural Product Likeliness | 0.629 |
NR-PPAR-gamma | 0.162 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.575 |
HIA | 0.198 |
CACO-2 | -5.433 |
MDCK | 0.00000691 |
BBB | 0.218 |
PPB | 0.893149 |
VDSS | 0.708 |
FU | 0.143296 |
CYP1A2-inh | 0.038 |
CYP1A2-sub | 0.859 |
CYP2c19-inh | 0.037 |
CYP2c19-sub | 0.704 |
CYP2c9-inh | 0.088 |
CYP2c9-sub | 0.664 |
CYP2d6-inh | 0.146 |
CYP2d6-sub | 0.705 |
CYP3a4-inh | 0.132 |
CYP3a4-sub | 0.749 |
CL | 11.279 |
T12 | 0.836 |
hERG | 0.111 |
Ames | 0.037 |
ROA | 0.08 |
SkinSen | 0.588 |
Carcinogencity | 0.073 |
EI | 0.4 |
Respiratory | 0.344 |
NR-Aromatase | 0.719 |
Antiviral | No |
Prediction | 0.680525 |