Chemoinformaics analysis of n-hexadecanyl linoleate
| Molecular Weight | 504.884 | nRot | 29 |
| Heavy Atom Molecular Weight | 440.372 | nRig | 3 |
| Exact Molecular Weight | 504.491 | nRing | 0 |
| Solubility: LogS | -2.896 | nHRing | 0 |
| Solubility: LogP | 11.251 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 100 | 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 | 64 | 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 | 101.059 |
| nHD | 0 | BPOL | 66.8092 |
| QED | 0.057 |
| Synth | 2.453 |
| Natural Product Likeliness | 0.575 |
| NR-PPAR-gamma | 0.061 |
| Lipinski | Rejected |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0 |
| HIA | 0.161 |
| CACO-2 | -5.137 |
| MDCK | 0.0000124 |
| BBB | 0.004 |
| PPB | 1.02474 |
| VDSS | 5.004 |
| FU | 0.00452757 |
| CYP1A2-inh | 0.04 |
| CYP1A2-sub | 0.14 |
| CYP2c19-inh | 0.119 |
| CYP2c19-sub | 0.044 |
| CYP2c9-inh | 0.039 |
| CYP2c9-sub | 0.976 |
| CYP2d6-inh | 0.241 |
| CYP2d6-sub | 0.211 |
| CYP3a4-inh | 0.261 |
| CYP3a4-sub | 0.03 |
| CL | 3.837 |
| T12 | 0.32 |
| hERG | 0.819 |
| Ames | 0.083 |
| ROA | 0.038 |
| SkinSen | 0.985 |
| Carcinogencity | 0.046 |
| EI | 0.901 |
| Respiratory | 0.92 |
| NR-Aromatase | 0.143 |
| Antiviral | Yes |
| Prediction | 0.506611 |