Chemoinformaics analysis of Ingenol 3-palmitate
| Molecular Weight | 586.854 | nRot | 16 |
| Heavy Atom Molecular Weight | 528.39 | nRig | 20 |
| Exact Molecular Weight | 586.423 | nRing | 4 |
| Solubility: LogS | -5.022 | nHRing | 0 |
| Solubility: LogP | 8.604 | No. of Aliphatic Rings | 4 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
| Atoms Count | 100 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 42 | No. of Aromatic Carbocycles | 0 |
| nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 2 | No. Saturated Carbocycles | 2 |
| No. of Hydrogen atom | 58 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 36 | No. of Saturated Rings | 2 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
| nHA | 6 | APOL | 103.606 |
| nHD | 3 | BPOL | 61.658 |
| QED | 0.104 |
| Synth | 6.065 |
| Natural Product Likeliness | 1.67 |
| NR-PPAR-gamma | 0.674 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.992 |
| Pgp-sub | 0.746 |
| HIA | 0.026 |
| CACO-2 | -4.932 |
| MDCK | 0.0000223 |
| BBB | 0.459 |
| PPB | 0.95713 |
| VDSS | 1.241 |
| FU | 0.0188499 |
| CYP1A2-inh | 0.051 |
| CYP1A2-sub | 0.146 |
| CYP2c19-inh | 0.43 |
| CYP2c19-sub | 0.141 |
| CYP2c9-inh | 0.36 |
| CYP2c9-sub | 0.885 |
| CYP2d6-inh | 0.032 |
| CYP2d6-sub | 0.02 |
| CYP3a4-inh | 0.804 |
| CYP3a4-sub | 0.265 |
| CL | 6.004 |
| T12 | 0.015 |
| hERG | 0.456 |
| Ames | 0.014 |
| ROA | 0.673 |
| SkinSen | 0.898 |
| Carcinogencity | 0.093 |
| EI | 0.015 |
| Respiratory | 0.981 |
| NR-Aromatase | 0.97 |
| Antiviral | No |
| Prediction | 0.728391 |