Chemoinformaics analysis of AMBRETTOLIC-ACID
| Molecular Weight | 270.413 | nRot | 14 |
| Heavy Atom Molecular Weight | 240.173 | nRig | 2 |
| Exact Molecular Weight | 270.219 | nRing | 0 |
| Solubility: LogS | -3.467 | nHRing | 0 |
| Solubility: LogP | 4.669 | No. of Aliphatic Rings | 0 |
| Acid Count | 1 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
| nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
| nHA | 2 | APOL | 49.1298 |
| nHD | 2 | BPOL | 30.9642 |
| QED | 0.365 |
| Synth | 2.127 |
| Natural Product Likeliness | 1.065 |
| NR-PPAR-gamma | 0.971 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.002 |
| HIA | 0.016 |
| CACO-2 | -5.166 |
| MDCK | 0.0000394 |
| BBB | 0.874 |
| PPB | 0.967762 |
| VDSS | 0.476 |
| FU | 0.0194334 |
| CYP1A2-inh | 0.069 |
| CYP1A2-sub | 0.164 |
| CYP2c19-inh | 0.025 |
| CYP2c19-sub | 0.062 |
| CYP2c9-inh | 0.146 |
| CYP2c9-sub | 0.981 |
| CYP2d6-inh | 0.002 |
| CYP2d6-sub | 0.077 |
| CYP3a4-inh | 0.02 |
| CYP3a4-sub | 0.019 |
| CL | 3.838 |
| T12 | 0.797 |
| hERG | 0.024 |
| Ames | 0.004 |
| ROA | 0.011 |
| SkinSen | 0.944 |
| Carcinogencity | 0.128 |
| EI | 0.979 |
| Respiratory | 0.195 |
| NR-Aromatase | 0.276 |
| Antiviral | Yes |
| Prediction | 0.685206 |