Chemoinformaics analysis of 1-PENTOXYHEXANE
| Molecular Weight | 172.312 | nRot | 9 |
| Heavy Atom Molecular Weight | 148.12 | nRig | 1 |
| Exact Molecular Weight | 172.183 | nRing | 0 |
| Solubility: LogS | -2.284 | nHRing | 0 |
| Solubility: LogP | 2.737 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 24 | 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 | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 35.175 |
| nHD | 0 | BPOL | 25.813 |
| QED | 0.565 |
| Synth | 1.761 |
| Natural Product Likeliness | -0.27 |
| NR-PPAR-gamma | 0.005 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.026 |
| Pgp-sub | 0.001 |
| HIA | 0.002 |
| CACO-2 | -4.246 |
| MDCK | 0.000032 |
| BBB | 0.989 |
| PPB | 0.722929 |
| VDSS | 0.729 |
| FU | 0.341104 |
| CYP1A2-inh | 0.972 |
| CYP1A2-sub | 0.399 |
| CYP2c19-inh | 0.439 |
| CYP2c19-sub | 0.555 |
| CYP2c9-inh | 0.561 |
| CYP2c9-sub | 0.686 |
| CYP2d6-inh | 0.034 |
| CYP2d6-sub | 0.048 |
| CYP3a4-inh | 0.028 |
| CYP3a4-sub | 0.222 |
| CL | 11.175 |
| T12 | 0.861 |
| hERG | 0.01 |
| Ames | 0.009 |
| ROA | 0.029 |
| SkinSen | 0.638 |
| Carcinogencity | 0.333 |
| EI | 0.984 |
| Respiratory | 0.075 |
| NR-Aromatase | 0.005 |
| Antiviral | No |
| Prediction | 0.612759 |