Chemoinformaics analysis of Sesquicineol-2-one
| Molecular Weight | 236.355 | nRot | 3 |
| Heavy Atom Molecular Weight | 212.163 | nRig | 11 |
| Exact Molecular Weight | 236.178 | nRing | 3 |
| Solubility: LogS | -3.687 | nHRing | 2 |
| Solubility: LogP | 3.809 | No. of Aliphatic Rings | 3 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
| Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 2 |
| No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 2 | No. Saturated Carbocycles | 1 |
| No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 2 |
| No. of Carbon atom | 15 | No. of Saturated Rings | 3 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
| nHA | 2 | APOL | 42.657 |
| nHD | 0 | BPOL | 26.681 |
| QED | 0.699 |
| Synth | 4.969 |
| Natural Product Likeliness | 2.592 |
| NR-PPAR-gamma | 0.08 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.779 |
| Pgp-sub | 0 |
| HIA | 0.006 |
| CACO-2 | -4.611 |
| MDCK | 0.0000194 |
| BBB | 0.852 |
| PPB | 0.925477 |
| VDSS | 1.281 |
| FU | 0.0877539 |
| CYP1A2-inh | 0.045 |
| CYP1A2-sub | 0.628 |
| CYP2c19-inh | 0.293 |
| CYP2c19-sub | 0.94 |
| CYP2c9-inh | 0.072 |
| CYP2c9-sub | 0.166 |
| CYP2d6-inh | 0.007 |
| CYP2d6-sub | 0.326 |
| CYP3a4-inh | 0.205 |
| CYP3a4-sub | 0.739 |
| CL | 19.48 |
| T12 | 0.62 |
| hERG | 0.013 |
| Ames | 0.224 |
| ROA | 0.054 |
| SkinSen | 0.178 |
| Carcinogencity | 0.879 |
| EI | 0.562 |
| Respiratory | 0.797 |
| NR-Aromatase | 0.067 |
| Antiviral | Yes |
| Prediction | 0.883677 |