Chemoinformaics analysis of BETA-AMYRIN-ACETATE
| Molecular Weight | 468.766 | nRot | 1 |
| Heavy Atom Molecular Weight | 416.35 | nRig | 27 |
| Exact Molecular Weight | 468.397 | nRing | 5 |
| Solubility: LogS | -6.988 | nHRing | 0 |
| Solubility: LogP | 8.115 | No. of Aliphatic Rings | 5 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
| Atoms Count | 86 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 34 | No. of Aromatic Carbocycles | 0 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 4 |
| No. of Hydrogen atom | 52 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 32 | No. of Saturated Rings | 4 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
| nHA | 2 | APOL | 89.7172 |
| nHD | 0 | BPOL | 54.7708 |
| QED | 0.284 |
| Synth | 4.587 |
| Natural Product Likeliness | 3.189 |
| NR-PPAR-gamma | 0.127 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.123 |
| Pgp-sub | 0 |
| HIA | 0.036 |
| CACO-2 | -4.964 |
| MDCK | 0.00000778 |
| BBB | 0.526 |
| PPB | 1.00395 |
| VDSS | 1.859 |
| FU | 0.0212223 |
| CYP1A2-inh | 0.017 |
| CYP1A2-sub | 0.238 |
| CYP2c19-inh | 0.061 |
| CYP2c19-sub | 0.967 |
| CYP2c9-inh | 0.086 |
| CYP2c9-sub | 0.428 |
| CYP2d6-inh | 0.068 |
| CYP2d6-sub | 0.493 |
| CYP3a4-inh | 0.2 |
| CYP3a4-sub | 0.658 |
| CL | 5.204 |
| T12 | 0.008 |
| hERG | 0.003 |
| Ames | 0.016 |
| ROA | 0.054 |
| SkinSen | 0.03 |
| Carcinogencity | 0.019 |
| EI | 0.213 |
| Respiratory | 0.961 |
| NR-Aromatase | 0.584 |
| Antiviral | No |
| Prediction | 0.663934 |