Chemoinformaics analysis of n-hexadecanyl oleate
| Molecular Weight | 506.9 | nRot | 30 |
| Heavy Atom Molecular Weight | 440.372 | nRig | 2 |
| Exact Molecular Weight | 506.506 | nRing | 0 |
| Solubility: LogS | -5.661 | nHRing | 0 |
| Solubility: LogP | 12.553 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 102 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 36 | No. of Aromatic Carbocycles | 0 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 66 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 34 | 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 | 102.392 |
| nHD | 0 | BPOL | 68.8157 |
| QED | 0.055 |
| Synth | 2.242 |
| Natural Product Likeliness | 0.399 |
| NR-PPAR-gamma | 0.031 |
| Lipinski | Rejected |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0 |
| HIA | 0.013 |
| CACO-2 | -5.215 |
| MDCK | 0.0000056 |
| BBB | 0.002 |
| PPB | 1.02326 |
| VDSS | 4.804 |
| FU | 0.00517807 |
| CYP1A2-inh | 0.033 |
| CYP1A2-sub | 0.126 |
| CYP2c19-inh | 0.106 |
| CYP2c19-sub | 0.044 |
| CYP2c9-inh | 0.025 |
| CYP2c9-sub | 0.972 |
| CYP2d6-inh | 0.086 |
| CYP2d6-sub | 0.035 |
| CYP3a4-inh | 0.196 |
| CYP3a4-sub | 0.018 |
| CL | 4.159 |
| T12 | 0.098 |
| hERG | 0.837 |
| Ames | 0.009 |
| ROA | 0.015 |
| SkinSen | 0.985 |
| Carcinogencity | 0.026 |
| EI | 0.933 |
| Respiratory | 0.624 |
| NR-Aromatase | 0.093 |
| Antiviral | No |
| Prediction | 0.513854 |