Chemoinformaics analysis of 11-Deoxojervine
| Molecular Weight | 411.63 | nRot | 0 |
| Heavy Atom Molecular Weight | 370.302 | nRig | 30 |
| Exact Molecular Weight | 411.314 | nRing | 6 |
| Solubility: LogS | -5.169 | nHRing | 2 |
| Solubility: LogP | 4.918 | No. of Aliphatic Rings | 6 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 4 |
| Atoms Count | 71 | No. of Aliphatic Hetero Cycles | 2 |
| No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 0 |
| nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 2 |
| No. of Hydrogen atom | 41 | No. of Saturated Hetero Cycles | 2 |
| No. of Carbon atom | 27 | No. of Saturated Rings | 4 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
| nHA | 3 | APOL | 75.1325 |
| nHD | 2 | BPOL | 43.4375 |
| QED | 0.551 |
| Synth | 5.513 |
| Natural Product Likeliness | 2.988 |
| NR-PPAR-gamma | 0.003 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.011 |
| Pgp-sub | 0.002 |
| HIA | 0.013 |
| CACO-2 | -4.831 |
| MDCK | 0.0000109 |
| BBB | 0.696 |
| PPB | 0.938502 |
| VDSS | 1.745 |
| FU | 0.0312895 |
| CYP1A2-inh | 0.015 |
| CYP1A2-sub | 0.344 |
| CYP2c19-inh | 0.045 |
| CYP2c19-sub | 0.963 |
| CYP2c9-inh | 0.027 |
| CYP2c9-sub | 0.067 |
| CYP2d6-inh | 0.062 |
| CYP2d6-sub | 0.896 |
| CYP3a4-inh | 0.493 |
| CYP3a4-sub | 0.814 |
| CL | 20.997 |
| T12 | 0.019 |
| hERG | 0.207 |
| Ames | 0.044 |
| ROA | 0.5 |
| SkinSen | 0.021 |
| Carcinogencity | 0.506 |
| EI | 0.006 |
| Respiratory | 0.943 |
| NR-Aromatase | 0.004 |
| Antiviral | Yes |
| Prediction | 0.628676 |