Chemoinformaics analysis of Heptyl salicylate
| Molecular Weight | 236.311 | nRot | 7 |
| Heavy Atom Molecular Weight | 216.151 | nRig | 6 |
| Exact Molecular Weight | 236.141 | nRing | 1 |
| Solubility: LogS | -4.086 | nHRing | 0 |
| Solubility: LogP | 3.558 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 1 |
| nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
| nHA | 3 | APOL | 39.1219 |
| nHD | 1 | BPOL | 22.6681 |
| QED | 0.643 |
| Synth | 1.222 |
| Natural Product Likeliness | -0.293 |
| NR-PPAR-gamma | 0.003 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.049 |
| Pgp-sub | 0.006 |
| HIA | 0.003 |
| CACO-2 | -4.301 |
| MDCK | 0.0000194 |
| BBB | 0.722 |
| PPB | 0.940743 |
| VDSS | 2.171 |
| FU | 0.0426093 |
| CYP1A2-inh | 0.98 |
| CYP1A2-sub | 0.951 |
| CYP2c19-inh | 0.936 |
| CYP2c19-sub | 0.807 |
| CYP2c9-inh | 0.69 |
| CYP2c9-sub | 0.904 |
| CYP2d6-inh | 0.689 |
| CYP2d6-sub | 0.908 |
| CYP3a4-inh | 0.22 |
| CYP3a4-sub | 0.469 |
| CL | 10.796 |
| T12 | 0.414 |
| hERG | 0.141 |
| Ames | 0.024 |
| ROA | 0.04 |
| SkinSen | 0.664 |
| Carcinogencity | 0.279 |
| EI | 0.99 |
| Respiratory | 0.15 |
| NR-Aromatase | 0.01 |
| Antiviral | Yes |
| Prediction | 0.729388 |