Chemoinformaics analysis of Methyl helicterilate
| Molecular Weight | 632.882 | nRot | 5 |
| Heavy Atom Molecular Weight | 576.434 | nRig | 35 |
| Exact Molecular Weight | 632.408 | nRing | 6 |
| Solubility: LogS | -6.219 | nHRing | 0 |
| Solubility: LogP | 7.488 | No. of Aliphatic Rings | 5 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
| Atoms Count | 102 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 46 | No. of Aromatic Carbocycles | 1 |
| nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 4 |
| No. of Hydrogen atom | 56 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 40 | No. of Saturated Rings | 4 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 6 | No. of Arom Bond | 6 |
| nHA | 6 | APOL | 108.952 |
| nHD | 0 | BPOL | 63.9916 |
| QED | 0.184 |
| Synth | 4.797 |
| Natural Product Likeliness | 2.54 |
| NR-PPAR-gamma | 0.473 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.995 |
| Pgp-sub | 0 |
| HIA | 0.003 |
| CACO-2 | -5.06 |
| MDCK | 0.0000237 |
| BBB | 0.004 |
| PPB | 0.971445 |
| VDSS | 1.528 |
| FU | 0.0351529 |
| CYP1A2-inh | 0.038 |
| CYP1A2-sub | 0.148 |
| CYP2c19-inh | 0.173 |
| CYP2c19-sub | 0.882 |
| CYP2c9-inh | 0.26 |
| CYP2c9-sub | 0.518 |
| CYP2d6-inh | 0.149 |
| CYP2d6-sub | 0.242 |
| CYP3a4-inh | 0.804 |
| CYP3a4-sub | 0.737 |
| CL | 4.449 |
| T12 | 0.036 |
| hERG | 0.137 |
| Ames | 0.009 |
| ROA | 0.063 |
| SkinSen | 0.05 |
| Carcinogencity | 0.042 |
| EI | 0.257 |
| Respiratory | 0.896 |
| NR-Aromatase | 0.424 |
| Antiviral | Yes |
| Prediction | 0.794578 |