Chemoinformaics analysis of 1-Methylnaphthalene
| Molecular Weight | 142.201 | nRot | 0 |
| Heavy Atom Molecular Weight | 132.121 | nRig | 11 |
| Exact Molecular Weight | 142.078 | nRing | 2 |
| Solubility: LogS | -4.213 | nHRing | 0 |
| Solubility: LogP | 3.802 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 2 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 2 |
| nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
| No. of Oxygen atom | 0 | No. of Arom Bond | 11 |
| nHA | 0 | APOL | 25.0379 |
| nHD | 0 | BPOL | 10.0321 |
| QED | 0.53 |
| Synth | 1.311 |
| Natural Product Likeliness | -0.33 |
| NR-PPAR-gamma | 0.003 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.005 |
| Pgp-sub | 0.028 |
| HIA | 0.003 |
| CACO-2 | -4.345 |
| MDCK | 0.0000216 |
| BBB | 0.7 |
| PPB | 0.958277 |
| VDSS | 1.174 |
| FU | 0.0420153 |
| CYP1A2-inh | 0.985 |
| CYP1A2-sub | 0.848 |
| CYP2c19-inh | 0.856 |
| CYP2c19-sub | 0.487 |
| CYP2c9-inh | 0.429 |
| CYP2c9-sub | 0.752 |
| CYP2d6-inh | 0.298 |
| CYP2d6-sub | 0.904 |
| CYP3a4-inh | 0.144 |
| CYP3a4-sub | 0.294 |
| CL | 9.868 |
| T12 | 0.306 |
| hERG | 0.059 |
| Ames | 0.648 |
| ROA | 0.068 |
| SkinSen | 0.86 |
| Carcinogencity | 0.828 |
| EI | 0.997 |
| Respiratory | 0.211 |
| NR-Aromatase | 0.013 |
| Antiviral | No |
| Prediction | 0.722586 |