Chemoinformaics analysis of ALPHA-BETA-THUJONE
| Molecular Weight | 152.237 | nRot | 1 |
| Heavy Atom Molecular Weight | 136.109 | nRig | 8 |
| Exact Molecular Weight | 152.12 | nRing | 2 |
| Solubility: LogS | -2.559 | nHRing | 0 |
| Solubility: LogP | 2.261 | No. of Aliphatic Rings | 2 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
| Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 2 |
| No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 10 | No. of Saturated Rings | 2 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 28.1707 |
| nHD | 0 | BPOL | 16.9193 |
| QED | 0.563 |
| Synth | 4.208 |
| Natural Product Likeliness | 2.589 |
| NR-PPAR-gamma | 0.003 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.001 |
| HIA | 0.006 |
| CACO-2 | -4.438 |
| MDCK | 0.0000274 |
| BBB | 0.975 |
| PPB | 0.62253 |
| VDSS | 1.067 |
| FU | 0.397471 |
| CYP1A2-inh | 0.184 |
| CYP1A2-sub | 0.556 |
| CYP2c19-inh | 0.092 |
| CYP2c19-sub | 0.915 |
| CYP2c9-inh | 0.07 |
| CYP2c9-sub | 0.231 |
| CYP2d6-inh | 0.019 |
| CYP2d6-sub | 0.516 |
| CYP3a4-inh | 0.167 |
| CYP3a4-sub | 0.325 |
| CL | 15.778 |
| T12 | 0.625 |
| hERG | 0.009 |
| Ames | 0.029 |
| ROA | 0.131 |
| SkinSen | 0.053 |
| Carcinogencity | 0.169 |
| EI | 0.874 |
| Respiratory | 0.125 |
| NR-Aromatase | 0.005 |
| Antiviral | No |
| Prediction | 0.940574 |