Chemoinformaics analysis of cis-4-Heptenal
| Molecular Weight | 112.172 | nRot | 4 |
| Heavy Atom Molecular Weight | 100.076 | nRig | 2 |
| Exact Molecular Weight | 112.089 | nRing | 0 |
| Solubility: LogS | -1.963 | nHRing | 0 |
| Solubility: LogP | 0.8 | 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 | 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 | 7 | 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 | 20.4935 |
| nHD | 0 | BPOL | 12.9065 |
| QED | 0.308 |
| Synth | 2.872 |
| Natural Product Likeliness | 2.372 |
| NR-PPAR-gamma | 0.103 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.003 |
| Pgp-sub | 0.012 |
| HIA | 0.006 |
| CACO-2 | -4.602 |
| MDCK | 0.0000406 |
| BBB | 0.983 |
| PPB | 0.408557 |
| VDSS | 1.185 |
| FU | 0.594696 |
| CYP1A2-inh | 0.193 |
| CYP1A2-sub | 0.856 |
| CYP2c19-inh | 0.039 |
| CYP2c19-sub | 0.678 |
| CYP2c9-inh | 0.009 |
| CYP2c9-sub | 0.771 |
| CYP2d6-inh | 0.034 |
| CYP2d6-sub | 0.876 |
| CYP3a4-inh | 0.015 |
| CYP3a4-sub | 0.202 |
| CL | 7.773 |
| T12 | 0.874 |
| hERG | 0.063 |
| Ames | 0.501 |
| ROA | 0.025 |
| SkinSen | 0.956 |
| Carcinogencity | 0.299 |
| EI | 0.993 |
| Respiratory | 0.851 |
| NR-Aromatase | 0.015 |
| Antiviral | No |
| Prediction | 0.955708 |