Chemoinformaics analysis of 3-Methylnonacosane
| Molecular Weight | 422.826 | nRot | 26 |
| Heavy Atom Molecular Weight | 360.33 | nRig | 51 |
| Exact Molecular Weight | 422.485 | nRing | 0 |
| Solubility: LogS | -3.949 | nHRing | 0 |
| Solubility: LogP | 3.439 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 92 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 0 |
| nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 62 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 30 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
| nHA | 0 | APOL | 91.4412 |
| nHD | 0 | BPOL | 62.1988 |
| QED | 0.189 |
| Synth | 6.793 |
| Natural Product Likeliness | 1.811 |
| NR-PPAR-gamma | 0.145 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.997 |
| Pgp-sub | 0.595 |
| HIA | 0.939 |
| CACO-2 | -5.259 |
| MDCK | 0.0000197 |
| BBB | 0.182 |
| PPB | 0.817604 |
| VDSS | 2.213 |
| FU | 0.147018 |
| CYP1A2-inh | 0.001 |
| CYP1A2-sub | 0.977 |
| CYP2c19-inh | 0.021 |
| CYP2c19-sub | 0.975 |
| CYP2c9-inh | 0.044 |
| CYP2c9-sub | 0.106 |
| CYP2d6-inh | 0.82 |
| CYP2d6-sub | 0.9 |
| CYP3a4-inh | 0.902 |
| CYP3a4-sub | 0.945 |
| CL | 2.652 |
| T12 | 0.001 |
| hERG | 0.221 |
| Ames | 0.042 |
| ROA | 0.999 |
| SkinSen | 0.004 |
| Carcinogencity | 0.965 |
| EI | 0.014 |
| Respiratory | 0.97 |
| NR-Aromatase | 0.549 |
| Antiviral | No |
| Prediction | 0.727514 |