Chemoinformaics analysis of ISOAMYL ANGELATE
| Molecular Weight | 170.252 | nRot | 4 |
| Heavy Atom Molecular Weight | 152.108 | nRig | 2 |
| Exact Molecular Weight | 170.131 | nRing | 0 |
| Solubility: LogS | -2.699 | nHRing | 0 |
| Solubility: LogP | 3.08 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
| nHA | 2 | APOL | 30.3063 |
| nHD | 0 | BPOL | 20.6617 |
| QED | 0.478 |
| Synth | 2.369 |
| Natural Product Likeliness | 1.437 |
| NR-PPAR-gamma | 0.002 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.008 |
| Pgp-sub | 0.001 |
| HIA | 0.002 |
| CACO-2 | -4.206 |
| MDCK | 0.0000273 |
| BBB | 0.265 |
| PPB | 0.871926 |
| VDSS | 0.977 |
| FU | 0.159564 |
| CYP1A2-inh | 0.966 |
| CYP1A2-sub | 0.816 |
| CYP2c19-inh | 0.891 |
| CYP2c19-sub | 0.833 |
| CYP2c9-inh | 0.796 |
| CYP2c9-sub | 0.554 |
| CYP2d6-inh | 0.261 |
| CYP2d6-sub | 0.12 |
| CYP3a4-inh | 0.194 |
| CYP3a4-sub | 0.282 |
| CL | 11.15 |
| T12 | 0.709 |
| hERG | 0.023 |
| Ames | 0.009 |
| ROA | 0.013 |
| SkinSen | 0.816 |
| Carcinogencity | 0.146 |
| EI | 0.992 |
| Respiratory | 0.477 |
| NR-Aromatase | 0.008 |
| Antiviral | No |
| Prediction | 0.951817 |