Table 2.
Structural properties of Jusanin and the different co-crystallized ligands of SARSCoV-2 proteins.
| Compound | ALog p | M. Wt | HBA | HBD | Rotatable Bonds | Rings | Aromatic Rings | MFPSA | Minimum Distance |
|---|---|---|---|---|---|---|---|---|---|
| Jusanin | 2.361 | 360.315 | 8 | 3 | 4 | 3 | 2 | 0.325 | 0 |
| X77 | 2.622 | 403.477 | 4 | 2 | 6 | 4 | 3 | 0.22 | 0.92 |
| TTT | 3.647 | 304.386 | 2 | 2 | 3 | 3 | 3 | 0.171 | 0.95 |
| VXG | 0.711 | 233.263 | 3 | 1 | 2 | 2 | 1 | 0.237 | 1.10 |
| F86 | −1.502 | 371.243 | 11 | 5 | 4 | 3 | 2 | 0.612 | 1.12 |
| SAM | −4.254 | 399.445 | 9 | 4 | 7 | 3 | 2 | 0.483 | 1.17 |
| GWS | 2.171 | 218.295 | 2 | 1 | 3 | 2 | 1 | 0.179 | 1.20 |
| PRD_002214 | 2.453 | 680.791 | 8 | 5 | 18 | 3 | 2 | 0.273 | 1.38 |
| 1N7 | 0.231 | 631.884 | 8 | 6 | 12 | 4 | 0 | 0.256 | 1.52 |