Chemoinformaics analysis of DELTA-PATCHOULENE
| Molecular Weight | 204.357 | nRot | 0 |
| Heavy Atom Molecular Weight | 180.165 | nRig | 13 |
| Exact Molecular Weight | 204.188 | nRing | 3 |
| Solubility: LogS | -6.277 | nHRing | 0 |
| Solubility: LogP | 5.291 | No. of Aliphatic Rings | 3 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
| Atoms Count | 39 | 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 | 2 | No. Saturated Carbocycles | 2 |
| No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 15 | No. of Saturated Rings | 2 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
| nHA | 0 | APOL | 41.053 |
| nHD | 0 | BPOL | 24.077 |
| QED | 0.513 |
| Synth | 4.897 |
| Natural Product Likeliness | 2.649 |
| NR-PPAR-gamma | 0.009 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.002 |
| Pgp-sub | 0 |
| HIA | 0.003 |
| CACO-2 | -4.497 |
| MDCK | 0.0000109 |
| BBB | 0.879 |
| PPB | 0.964147 |
| VDSS | 2.912 |
| FU | 0.0456703 |
| CYP1A2-inh | 0.245 |
| CYP1A2-sub | 0.787 |
| CYP2c19-inh | 0.404 |
| CYP2c19-sub | 0.956 |
| CYP2c9-inh | 0.544 |
| CYP2c9-sub | 0.89 |
| CYP2d6-inh | 0.026 |
| CYP2d6-sub | 0.766 |
| CYP3a4-inh | 0.672 |
| CYP3a4-sub | 0.501 |
| CL | 13.468 |
| T12 | 0.048 |
| hERG | 0.004 |
| Ames | 0.011 |
| ROA | 0.041 |
| SkinSen | 0.038 |
| Carcinogencity | 0.52 |
| EI | 0.819 |
| Respiratory | 0.971 |
| NR-Aromatase | 0.048 |
| Antiviral | Yes |
| Prediction | 0.929264 |