Chemoinformaics analysis of Isorhapontigenin
| Molecular Weight | 258.273 | nRot | 3 |
| Heavy Atom Molecular Weight | 244.161 | nRig | 13 |
| Exact Molecular Weight | 258.089 | nRing | 2 |
| Solubility: LogS | -2.55 | nHRing | 0 |
| Solubility: LogP | 2.89 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 2 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 2 |
| nHetero | 4 | 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 | 15 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
| No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
| nHA | 4 | APOL | 37.5931 |
| nHD | 3 | BPOL | 15.7809 |
| QED | 0.74 |
| Synth | 2.174 |
| Natural Product Likeliness | 0.894 |
| NR-PPAR-gamma | 0.021 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.093 |
| Pgp-sub | 0.608 |
| HIA | 0.012 |
| CACO-2 | -4.978 |
| MDCK | 0.0000147 |
| BBB | 0.033 |
| PPB | 0.979989 |
| VDSS | 0.603 |
| FU | 0.0171153 |
| CYP1A2-inh | 0.971 |
| CYP1A2-sub | 0.871 |
| CYP2c19-inh | 0.148 |
| CYP2c19-sub | 0.062 |
| CYP2c9-inh | 0.295 |
| CYP2c9-sub | 0.938 |
| CYP2d6-inh | 0.443 |
| CYP2d6-sub | 0.923 |
| CYP3a4-inh | 0.896 |
| CYP3a4-sub | 0.168 |
| CL | 13.944 |
| T12 | 0.931 |
| hERG | 0.086 |
| Ames | 0.082 |
| ROA | 0.227 |
| SkinSen | 0.957 |
| Carcinogencity | 0.218 |
| EI | 0.947 |
| Respiratory | 0.691 |
| NR-Aromatase | 0.447 |
| Antiviral | No |
| Prediction | 0.789554 |