Chemoinformaics analysis of n-Pentadecanoic acid
| Molecular Weight | 242.403 | nRot | 13 |
| Heavy Atom Molecular Weight | 212.163 | nRig | 1 |
| Exact Molecular Weight | 242.225 | nRing | 0 |
| Solubility: LogS | -4.814 | nHRing | 0 |
| Solubility: LogP | 6.283 | No. of Aliphatic Rings | 0 |
| Acid Count | 1 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 15 | 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 | 1 | APOL | 46.6578 |
| nHD | 1 | BPOL | 30.9642 |
| QED | 0.453 |
| Synth | 1.664 |
| Natural Product Likeliness | 0.408 |
| NR-PPAR-gamma | 0.976 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.017 |
| Pgp-sub | 0 |
| HIA | 0.005 |
| CACO-2 | -4.996 |
| MDCK | 0.0000267 |
| BBB | 0.094 |
| PPB | 0.986521 |
| VDSS | 0.514 |
| FU | 0.011166 |
| CYP1A2-inh | 0.298 |
| CYP1A2-sub | 0.199 |
| CYP2c19-inh | 0.146 |
| CYP2c19-sub | 0.154 |
| CYP2c9-inh | 0.213 |
| CYP2c9-sub | 0.988 |
| CYP2d6-inh | 0.007 |
| CYP2d6-sub | 0.06 |
| CYP3a4-inh | 0.02 |
| CYP3a4-sub | 0.021 |
| CL | 2.343 |
| T12 | 0.67 |
| hERG | 0.047 |
| Ames | 0.005 |
| ROA | 0.033 |
| SkinSen | 0.869 |
| Carcinogencity | 0.07 |
| EI | 0.981 |
| Respiratory | 0.873 |
| NR-Aromatase | 0.035 |
| Antiviral | Yes |
| Prediction | 0.767178 |