Chemoinformaics analysis of 2,5-Dimethyltridecane
| Molecular Weight | 212.421 | nRot | 10 |
| Heavy Atom Molecular Weight | 180.165 | nRig | 37 |
| Exact Molecular Weight | 212.25 | nRing | 0 |
| Solubility: LogS | -5.195 | nHRing | 0 |
| Solubility: LogP | 4.13 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | 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 | 15 | No. of Aromatic Carbocycles | 0 |
| nHetero | 0 | 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 | 15 | 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 | 46.3874 |
| nHD | 0 | BPOL | 32.1026 |
| QED | 0.325 |
| Synth | 7.688 |
| Natural Product Likeliness | 2.15 |
| NR-PPAR-gamma | 0.353 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 1 |
| Pgp-sub | 0.052 |
| HIA | 0.07 |
| CACO-2 | -5.289 |
| MDCK | 0.0000418 |
| BBB | 0.757 |
| PPB | 0.818456 |
| VDSS | 1.736 |
| FU | 0.111453 |
| CYP1A2-inh | 0.001 |
| CYP1A2-sub | 0.989 |
| CYP2c19-inh | 0.4 |
| CYP2c19-sub | 0.511 |
| CYP2c9-inh | 0.72 |
| CYP2c9-sub | 0.01 |
| CYP2d6-inh | 0.002 |
| CYP2d6-sub | 0.084 |
| CYP3a4-inh | 0.825 |
| CYP3a4-sub | 0.93 |
| CL | 6.957 |
| T12 | 0.017 |
| hERG | 0.003 |
| Ames | 0.335 |
| ROA | 0.998 |
| SkinSen | 0.015 |
| Carcinogencity | 0.968 |
| EI | 0.042 |
| Respiratory | 0.979 |
| NR-Aromatase | 0.782 |
| Antiviral | Yes |
| Prediction | 0.722519 |