Chemoinformaics analysis of 3beta-Hydroxy-20(29)-lupene
| Molecular Weight | 426.729 | nRot | 1 |
| Heavy Atom Molecular Weight | 376.329 | nRig | 26 |
| Exact Molecular Weight | 426.386 | nRing | 5 |
| Solubility: LogS | -6.199 | nHRing | 0 |
| Solubility: LogP | 7.291 | No. of Aliphatic Rings | 5 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
| Atoms Count | 81 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 5 |
| No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 30 | No. of Saturated Rings | 5 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 84.2417 |
| nHD | 1 | BPOL | 50.1604 |
| QED | 0.421 |
| Synth | 4.663 |
| Natural Product Likeliness | 3.054 |
| NR-PPAR-gamma | 0.009 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.208 |
| Pgp-sub | 0 |
| HIA | 0.008 |
| CACO-2 | -5.02 |
| MDCK | 0.00000778 |
| BBB | 0.792 |
| PPB | 0.988022 |
| VDSS | 1.731 |
| FU | 0.0221092 |
| CYP1A2-inh | 0.025 |
| CYP1A2-sub | 0.54 |
| CYP2c19-inh | 0.055 |
| CYP2c19-sub | 0.969 |
| CYP2c9-inh | 0.079 |
| CYP2c9-sub | 0.308 |
| CYP2d6-inh | 0.04 |
| CYP2d6-sub | 0.875 |
| CYP3a4-inh | 0.154 |
| CYP3a4-sub | 0.587 |
| CL | 17.929 |
| T12 | 0.01 |
| hERG | 0.034 |
| Ames | 0.015 |
| ROA | 0.195 |
| SkinSen | 0.283 |
| Carcinogencity | 0.009 |
| EI | 0.1 |
| Respiratory | 0.8 |
| NR-Aromatase | 0.406 |
| Antiviral | No |
| Prediction | 0.817692 |