Chemoinformaics analysis of (-)-BETA-CHAMIGRENE
| Molecular Weight | 204.357 | nRot | 0 |
| Heavy Atom Molecular Weight | 180.165 | nRig | 13 |
| Exact Molecular Weight | 204.188 | nRing | 2 |
| Solubility: LogS | -5.608 | nHRing | 0 |
| Solubility: LogP | 5.511 | No. of Aliphatic Rings | 2 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
| 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 | 0 | No. Saturated Carbocycles | 1 |
| No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
| 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 | 0.494 |
| Synth | 4.246 |
| Natural Product Likeliness | 3.276 |
| NR-PPAR-gamma | 0.028 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.653 |
| Pgp-sub | 0 |
| HIA | 0.002 |
| CACO-2 | -4.501 |
| MDCK | 0.0000117 |
| BBB | 0.236 |
| PPB | 0.941599 |
| VDSS | 3.43 |
| FU | 0.0583972 |
| CYP1A2-inh | 0.566 |
| CYP1A2-sub | 0.636 |
| CYP2c19-inh | 0.605 |
| CYP2c19-sub | 0.929 |
| CYP2c9-inh | 0.411 |
| CYP2c9-sub | 0.894 |
| CYP2d6-inh | 0.024 |
| CYP2d6-sub | 0.683 |
| CYP3a4-inh | 0.333 |
| CYP3a4-sub | 0.215 |
| CL | 9.268 |
| T12 | 0.058 |
| hERG | 0.022 |
| Ames | 0.011 |
| ROA | 0.1 |
| SkinSen | 0.05 |
| Carcinogencity | 0.849 |
| EI | 0.96 |
| Respiratory | 0.954 |
| NR-Aromatase | 0.252 |
| Antiviral | Yes |
| Prediction | 0.886931 |