Chemoinformaics analysis of naringenin 4´-methylether
Molecular Weight | 286.283 | nRot | 2 |
Heavy Atom Molecular Weight | 272.171 | nRig | 18 |
Exact Molecular Weight | 286.084 | nRing | 3 |
Solubility: LogS | -4.113 | nHRing | 1 |
Solubility: LogP | 3.012 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 40.0651 |
nHD | 2 | BPOL | 18.3849 |
QED | 0.887 |
Synth | 2.696 |
Natural Product Likeliness | 1.506 |
NR-PPAR-gamma | 0.917 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0.001 |
HIA | 0.008 |
CACO-2 | -4.673 |
MDCK | 0.0000104 |
BBB | 0.048 |
PPB | 0.956538 |
VDSS | 0.555 |
FU | 0.0428789 |
CYP1A2-inh | 0.934 |
CYP1A2-sub | 0.892 |
CYP2c19-inh | 0.948 |
CYP2c19-sub | 0.128 |
CYP2c9-inh | 0.887 |
CYP2c9-sub | 0.955 |
CYP2d6-inh | 0.825 |
CYP2d6-sub | 0.882 |
CYP3a4-inh | 0.827 |
CYP3a4-sub | 0.207 |
CL | 13.625 |
T12 | 0.507 |
hERG | 0.073 |
Ames | 0.474 |
ROA | 0.576 |
SkinSen | 0.801 |
Carcinogencity | 0.652 |
EI | 0.913 |
Respiratory | 0.792 |
NR-Aromatase | 0.084 |
Antiviral | Yes |
Prediction | 0.866801 |