Chemoinformaics analysis of OCTYL OCTANOATE
| Molecular Weight | 256.43 | nRot | 13 |
| Heavy Atom Molecular Weight | 224.174 | nRig | 1 |
| Exact Molecular Weight | 256.24 | nRing | 0 |
| Solubility: LogS | -6.492 | nHRing | 0 |
| Solubility: LogP | 6.612 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 32 | 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 | 2 | No. of Arom Bond | 0 |
| nHA | 2 | APOL | 49.6614 |
| nHD | 0 | BPOL | 34.7066 |
| QED | 0.332 |
| Synth | 1.748 |
| Natural Product Likeliness | 0.217 |
| NR-PPAR-gamma | 0.092 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.069 |
| Pgp-sub | 0.004 |
| HIA | 0.002 |
| CACO-2 | -4.674 |
| MDCK | 0.0000182 |
| BBB | 0.22 |
| PPB | 0.972855 |
| VDSS | 1.475 |
| FU | 0.0183877 |
| CYP1A2-inh | 0.896 |
| CYP1A2-sub | 0.202 |
| CYP2c19-inh | 0.606 |
| CYP2c19-sub | 0.072 |
| CYP2c9-inh | 0.356 |
| CYP2c9-sub | 0.882 |
| CYP2d6-inh | 0.126 |
| CYP2d6-sub | 0.061 |
| CYP3a4-inh | 0.423 |
| CYP3a4-sub | 0.085 |
| CL | 7.472 |
| T12 | 0.353 |
| hERG | 0.264 |
| Ames | 0.005 |
| ROA | 0.048 |
| SkinSen | 0.948 |
| Carcinogencity | 0.102 |
| EI | 0.977 |
| Respiratory | 0.834 |
| NR-Aromatase | 0.057 |
| Antiviral | Yes |
| Prediction | 0.747083 |