Table 1. Structural properties of Quercetin with the co-crystallized ligands of SARSCoV-2 proteins.
| Compound | ALog p | M. Wt | HB acceptors | HB donors | Rotatable bonds | Rings | Aromatic rings | MFPSA | Minimum Distance |
|---|---|---|---|---|---|---|---|---|---|
| Quercetin | 1.63 | 302 | 7 | 5 | 1 | 3 | 2 | 0.47 | 0 |
| Remdesivir | -1.50 | 371 | 11 | 5 | 4 | 3 | 2 | 0.61 | 0.8215 |
| PRD_002214 | 2.45 | 680 | 8 | 5 | 18 | 3 | 2 | 0.27 | 1.6171 |
| GWS | 2.17 | 218 | 2 | 1 | 3 | 2 | 1 | 0.18 | 1.4150 |
| X77 | 2.62 | 403 | 4 | 2 | 6 | 4 | 3 | 0.22 | 1.2070 |
| VXG | 0.71 | 233 | 3 | 1 | 2 | 2 | 1 | 0.24 | 1.2830 |
| 1N7 | 0.23 | 631 | 8 | 6 | 12 | 4 | 0 | 0.25 | 1.5484 |
| SAM | -4.25 | 399 | 9 | 4 | 7 | 3 | 2 | 0.48 | 1.0731 |
| Y95 | 3.08 | 390 | 3 | 4 | 4 | 3 | 3 | 0.28 | 0.8981 |
| XT7 | 3.87 | 504 | 5 | 5 | 9 | 5 | 3 | 0.22 | 1.3982 |