Chemoinformaics analysis of 3-METHYL-2-BUTANOL
| Molecular Weight | 88.15 | nRot | 1 |
| Heavy Atom Molecular Weight | 76.054 | nRig | 0 |
| Exact Molecular Weight | 88.0888 | nRing | 0 |
| Solubility: LogS | -0.184 | nHRing | 0 |
| Solubility: LogP | 1.023 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 18 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 6 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 17.1535 |
| nHD | 1 | BPOL | 12.0385 |
| QED | 0.507 |
| Synth | 2.4 |
| Natural Product Likeliness | 0.644 |
| NR-PPAR-gamma | 0.002 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.156 |
| HIA | 0.007 |
| CACO-2 | -4.212 |
| MDCK | 0.0000268 |
| BBB | 0.932 |
| PPB | 0.271964 |
| VDSS | 1.186 |
| FU | 0.687712 |
| CYP1A2-inh | 0.197 |
| CYP1A2-sub | 0.515 |
| CYP2c19-inh | 0.024 |
| CYP2c19-sub | 0.887 |
| CYP2c9-inh | 0.02 |
| CYP2c9-sub | 0.622 |
| CYP2d6-inh | 0.006 |
| CYP2d6-sub | 0.407 |
| CYP3a4-inh | 0.008 |
| CYP3a4-sub | 0.304 |
| CL | 10.15 |
| T12 | 0.754 |
| hERG | 0.012 |
| Ames | 0.02 |
| ROA | 0.043 |
| SkinSen | 0.088 |
| Carcinogencity | 0.041 |
| EI | 0.99 |
| Respiratory | 0.033 |
| NR-Aromatase | 0.002 |
| Antiviral | No |
| Prediction | 0.944833 |