Chemoinformaics analysis of BETA-VETIVENENE
| Molecular Weight | 202.341 | nRot | 0 |
| Heavy Atom Molecular Weight | 180.165 | nRig | 12 |
| Exact Molecular Weight | 202.172 | nRing | 2 |
| Solubility: LogS | -4.796 | nHRing | 0 |
| Solubility: LogP | 4.75 | No. of Aliphatic Rings | 2 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
| Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
| nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 22 | 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 | 0 |
| No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
| nHA | 0 | APOL | 39.7194 |
| nHD | 0 | BPOL | 22.0706 |
| QED | 0.502 |
| Synth | 4.506 |
| Natural Product Likeliness | 2.888 |
| NR-PPAR-gamma | 0.009 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.993 |
| Pgp-sub | 0.001 |
| HIA | 0.005 |
| CACO-2 | -4.556 |
| MDCK | 0.0000295 |
| BBB | 0.099 |
| PPB | 0.978682 |
| VDSS | 4.792 |
| FU | 0.0221031 |
| CYP1A2-inh | 0.753 |
| CYP1A2-sub | 0.49 |
| CYP2c19-inh | 0.501 |
| CYP2c19-sub | 0.924 |
| CYP2c9-inh | 0.423 |
| CYP2c9-sub | 0.783 |
| CYP2d6-inh | 0.248 |
| CYP2d6-sub | 0.786 |
| CYP3a4-inh | 0.339 |
| CYP3a4-sub | 0.375 |
| CL | 15.497 |
| T12 | 0.332 |
| hERG | 0.088 |
| Ames | 0.004 |
| ROA | 0.029 |
| SkinSen | 0.963 |
| Carcinogencity | 0.804 |
| EI | 0.416 |
| Respiratory | 0.947 |
| NR-Aromatase | 0.031 |
| Antiviral | Yes |
| Prediction | 0.831764 |