Table 1. Docking results with pharmacological properties.
| S.No | Entry Name | Glide Gscore (Kcal/mol) | Dock score (Kcal/mol) | ROF Violation | HOA | MW | QlogKhsa |
| 1 | isovitexin | -11.489 | -11.485 | 1 | Medium | 432.383 | -0.669 |
| 2 | vitexin | -10.604 | -10.601 | 1 | Medium | 432.383 | -0.667 |
| 3 | sophoroside | -9.711 | -9.711 | 1 | Medium | 354.353 | -1.347 |
| 4 | cannflavinA | -9.513 | -9.513 | 1 | Low | 436.504 | 1.119 |
| 5 | secoisolariciresinol | -9.205 | -9.205 | 0 | Medium | 362.422 | -0.226 |
| 6 | lariciresinol | -8.84 | -8.84 | 0 | High | 360.406 | 0.051 |
| 7 | quercetin | -8.423 | -8.421 | 0 | Medium | 302.24 | -0.349 |
| 8 | cannabitriol | -8.415 | -8.415 | 0 | High | 346.466 | 0.537 |
| 9 | kaempferol | -8.047 | -8.045 | 0 | High | 286.24 | -0.195 |
| 10 | luteolin | -7.791 | -7.788 | 0 | High | 286.24 | -0.194 |
| 11 | catechin | -7.328 | -7.328 | 0 | Medium | 290.272 | -0.422 |
| 12 | chrysin | -6.976 | -6.972 | 0 | High | 254.242 | 0.128 |
| 13 | cycloguanil(co-crystallized) | -6.908 | -6.908 | 1 | Medium | 261.797 | -0.387 |
| 14 | pyrimethamine | -6.957 | -6.957 | 0 | High | 248.714 | -0.265 |