Table 2.
Computed standard properties of the hits based on Lipinski's Rule of Five, polar surface area and pharmacophore fit score.
| Compound ID | M.wt | Log P | No. of HBD | No. of HBA | PSA | PFS |
|---|---|---|---|---|---|---|
| AW00883 | 392.30 | 2.79 | 2 | 5 | 66.91 | 38.93 |
| BTB05015 | 283.76 | 4.82 | 0 | 2 | 22.12 | 38.91 |
| HTS04529 | 375.86 | 3.49 | 1 | 4 | 50.68 | 38.93 |
| HTS05856 | 382.46 | 4.66 | 1 | 4 | 54.98 | 38.91 |
| RH01822 | 335.77 | 1.30 | 2 | 6 | 92.18 | 38.92 |
| RH01894 | 276.34 | 2.61 | 1 | 3 | 41.99 | 38.94 |
| RJF00096 | 346.22 | 3.84 | 1 | 4 | 58.9 | 38.97 |
| RJF00433 | 284.14 | 3.36 | 2 | 4 | 72.03 | 38.91 |
| SPB05884 | 359.83 | 3.88 | 1 | 5 | 64.11 | 38.94 |