Chemoinformaics analysis of (E)-PENTADEC-2-ENAL
| Molecular Weight | 224.388 | nRot | 12 |
| Heavy Atom Molecular Weight | 196.164 | nRig | 2 |
| Exact Molecular Weight | 224.214 | nRing | 0 |
| Solubility: LogS | -0.533 | nHRing | 0 |
| Solubility: LogP | 0.997 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 15 | 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 | 44.5222 |
| nHD | 0 | BPOL | 28.9578 |
| QED | 0.479 |
| Synth | 2.948 |
| Natural Product Likeliness | 1.255 |
| NR-PPAR-gamma | 0.004 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.012 |
| HIA | 0.005 |
| CACO-2 | -4.315 |
| MDCK | 0.0000313 |
| BBB | 0.995 |
| PPB | 0.26611 |
| VDSS | 0.733 |
| FU | 0.739324 |
| CYP1A2-inh | 0.396 |
| CYP1A2-sub | 0.599 |
| CYP2c19-inh | 0.115 |
| CYP2c19-sub | 0.815 |
| CYP2c9-inh | 0.016 |
| CYP2c9-sub | 0.84 |
| CYP2d6-inh | 0.019 |
| CYP2d6-sub | 0.693 |
| CYP3a4-inh | 0.017 |
| CYP3a4-sub | 0.225 |
| CL | 10.749 |
| T12 | 0.852 |
| hERG | 0.007 |
| Ames | 0.058 |
| ROA | 0.014 |
| SkinSen | 0.346 |
| Carcinogencity | 0.42 |
| EI | 0.994 |
| Respiratory | 0.024 |
| NR-Aromatase | 0.005 |
| Antiviral | Yes |
| Prediction | 0.786791 |