Chemoinformaics analysis of Apigenin
Molecular Weight | 270.24 | nRot | 1 |
Heavy Atom Molecular Weight | 260.16 | nRig | 18 |
Exact Molecular Weight | 270.053 | nRing | 3 |
Solubility: LogS | -3.606 | nHRing | 1 |
Solubility: LogP | 3.307 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 35.7279 |
nHD | 3 | BPOL | 12.6361 |
QED | 0.632 |
Synth | 2.253 |
Natural Product Likeliness | 1.358 |
NR-PPAR-gamma | 0.931 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.82 |
HIA | 0.015 |
CACO-2 | -4.847 |
MDCK | 0.0000116 |
BBB | 0.012 |
PPB | 0.972549 |
VDSS | 0.51 |
FU | 0.0366754 |
CYP1A2-inh | 0.988 |
CYP1A2-sub | 0.145 |
CYP2c19-inh | 0.588 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.602 |
CYP2c9-sub | 0.939 |
CYP2d6-inh | 0.792 |
CYP2d6-sub | 0.778 |
CYP3a4-inh | 0.833 |
CYP3a4-sub | 0.126 |
CL | 7.022 |
T12 | 0.856 |
hERG | 0.057 |
Ames | 0.475 |
ROA | 0.057 |
SkinSen | 0.928 |
Carcinogencity | 0.277 |
EI | 0.945 |
Respiratory | 0.266 |
NR-Aromatase | 0.904 |
Antiviral | Yes |
Prediction | 0.728263 |