Chemoinformaics analysis of P-MENTHA-1,8-DIENE
| Molecular Weight | 136.238 | nRot | 1 |
| Heavy Atom Molecular Weight | 120.11 | nRig | 7 |
| Exact Molecular Weight | 136.125 | nRing | 1 |
| Solubility: LogS | -4.239 | nHRing | 0 |
| Solubility: LogP | 4.368 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
| Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
| nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 10 | 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 | 27.3687 |
| nHD | 0 | BPOL | 16.0513 |
| QED | 0.485 |
| Synth | 3.165 |
| Natural Product Likeliness | 2.359 |
| NR-PPAR-gamma | 0.004 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.002 |
| Pgp-sub | 0 |
| HIA | 0.003 |
| CACO-2 | -4.32 |
| MDCK | 0.0000193 |
| BBB | 0.989 |
| PPB | 0.863817 |
| VDSS | 3.373 |
| FU | 0.0924445 |
| CYP1A2-inh | 0.678 |
| CYP1A2-sub | 0.652 |
| CYP2c19-inh | 0.223 |
| CYP2c19-sub | 0.834 |
| CYP2c9-inh | 0.06 |
| CYP2c9-sub | 0.804 |
| CYP2d6-inh | 0.02 |
| CYP2d6-sub | 0.874 |
| CYP3a4-inh | 0.057 |
| CYP3a4-sub | 0.253 |
| CL | 11.517 |
| T12 | 0.233 |
| hERG | 0.023 |
| Ames | 0.007 |
| ROA | 0.017 |
| SkinSen | 0.355 |
| Carcinogencity | 0.922 |
| EI | 0.981 |
| Respiratory | 0.216 |
| NR-Aromatase | 0.008 |
| Antiviral | No |
| Prediction | 0.938956 |