Chemoinformaics analysis of 7-deoxyloganic-acid
| Molecular Weight | 296.278 | nRot | 2 |
| Heavy Atom Molecular Weight | 284.182 | nRig | 21 |
| Exact Molecular Weight | 296.068 | nRing | 4 |
| Solubility: LogS | -3.981 | nHRing | 1 |
| Solubility: LogP | 4.24 | No. of Aliphatic Rings | 1 |
| Acid Count | 1 | No. of Aromatic Rings | 3 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 3 |
| nHetero | 5 | 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 | 17 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 14 |
| No. of Oxygen atom | 5 | No. of Arom Bond | 16 |
| nHA | 4 | APOL | 40.4015 |
| nHD | 1 | BPOL | 18.1145 |
| QED | 0.734 |
| Synth | 2.257 |
| Natural Product Likeliness | 0.52 |
| NR-PPAR-gamma | 0.808 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.004 |
| Pgp-sub | 0.001 |
| HIA | 0.002 |
| CACO-2 | -4.786 |
| MDCK | 0.000023 |
| BBB | 0.123 |
| PPB | 0.930404 |
| VDSS | 0.514 |
| FU | 0.0261518 |
| CYP1A2-inh | 0.862 |
| CYP1A2-sub | 0.465 |
| CYP2c19-inh | 0.129 |
| CYP2c19-sub | 0.096 |
| CYP2c9-inh | 0.49 |
| CYP2c9-sub | 0.338 |
| CYP2d6-inh | 0.801 |
| CYP2d6-sub | 0.165 |
| CYP3a4-inh | 0.353 |
| CYP3a4-sub | 0.06 |
| CL | 8.177 |
| T12 | 0.374 |
| hERG | 0.161 |
| Ames | 0.115 |
| ROA | 0.02 |
| SkinSen | 0.671 |
| Carcinogencity | 0.94 |
| EI | 0.792 |
| Respiratory | 0.942 |
| NR-Aromatase | 0.013 |
| Antiviral | Yes |
| Prediction | 0.723848 |