Chemoinformaics analysis of Benzyl nonanoate
| Molecular Weight | 248.366 | nRot | 9 |
| Heavy Atom Molecular Weight | 224.174 | nRig | 7 |
| Exact Molecular Weight | 248.178 | nRing | 1 |
| Solubility: LogS | -5.522 | nHRing | 0 |
| Solubility: LogP | 5.127 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 1 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 24 | 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 | 6 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
| nHA | 2 | APOL | 44.327 |
| nHD | 0 | BPOL | 26.681 |
| QED | 0.475 |
| Synth | 1.531 |
| Natural Product Likeliness | 0.02 |
| NR-PPAR-gamma | 0.036 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.052 |
| Pgp-sub | 0.002 |
| HIA | 0.002 |
| CACO-2 | -4.539 |
| MDCK | 0.0000189 |
| BBB | 0.457 |
| PPB | 0.963864 |
| VDSS | 0.99 |
| FU | 0.0236795 |
| CYP1A2-inh | 0.968 |
| CYP1A2-sub | 0.262 |
| CYP2c19-inh | 0.879 |
| CYP2c19-sub | 0.067 |
| CYP2c9-inh | 0.645 |
| CYP2c9-sub | 0.563 |
| CYP2d6-inh | 0.068 |
| CYP2d6-sub | 0.062 |
| CYP3a4-inh | 0.31 |
| CYP3a4-sub | 0.232 |
| CL | 9.465 |
| T12 | 0.707 |
| hERG | 0.221 |
| Ames | 0.018 |
| ROA | 0.067 |
| SkinSen | 0.921 |
| Carcinogencity | 0.202 |
| EI | 0.969 |
| Respiratory | 0.18 |
| NR-Aromatase | 0.022 |
| Antiviral | Yes |
| Prediction | 0.795564 |