Chemoinformaics analysis of 1,3,7-Octatriene
| Molecular Weight | 108.184 | nRot | 4 |
| Heavy Atom Molecular Weight | 96.088 | nRig | 3 |
| Exact Molecular Weight | 108.094 | nRing | 0 |
| Solubility: LogS | -2.141 | nHRing | 0 |
| Solubility: LogP | 2.436 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 0 |
| nHetero | 0 | 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 | 8 | 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 | 21.3615 |
| nHD | 0 | BPOL | 12.0385 |
| QED | 0.295 |
| Synth | 3.274 |
| Natural Product Likeliness | 2.76 |
| NR-PPAR-gamma | 0.004 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.002 |
| Pgp-sub | 0.001 |
| HIA | 0.004 |
| CACO-2 | -4.356 |
| MDCK | 0.0000407 |
| BBB | 0.943 |
| PPB | 0.720829 |
| VDSS | 1.16 |
| FU | 0.362808 |
| CYP1A2-inh | 0.286 |
| CYP1A2-sub | 0.653 |
| CYP2c19-inh | 0.122 |
| CYP2c19-sub | 0.862 |
| CYP2c9-inh | 0.031 |
| CYP2c9-sub | 0.929 |
| CYP2d6-inh | 0.27 |
| CYP2d6-sub | 0.926 |
| CYP3a4-inh | 0.035 |
| CYP3a4-sub | 0.238 |
| CL | 5.725 |
| T12 | 0.621 |
| hERG | 0.006 |
| Ames | 0.413 |
| ROA | 0.068 |
| SkinSen | 0.952 |
| Carcinogencity | 0.887 |
| EI | 0.995 |
| Respiratory | 0.933 |
| NR-Aromatase | 0.006 |
| Antiviral | No |
| Prediction | 0.955708 |