Table 2.
Physicochemical properties of the macrocyclic hits (2–22) and marketed drug, remdesivir (1).a
| Comp No. | MWb | HBDc | HBAd | RBe | Log Pf | No. of violationsg |
|---|---|---|---|---|---|---|
| 1 | 602.58 | 4 | 12 | 14 | 2.31 | 2 |
| 2 | 625.82 | 1 | 8 | 6 | 3.78 | 1 |
| 3 | 589.77 | 1 | 6 | 6 | 4.36 | 1 |
| 4 | 528.64 | 0 | 5 | 3 | 3.80 | 1 |
| 5 | 574.75 | 1 | 5 | 6 | 4.66 | 1 |
| 6 | 494.58 | 2 | 5 | 3 | 2.01 | 0 |
| 7 | 625.82 | 1 | 8 | 6 | 3.78 | 1 |
| 8 | 572.66 | 1 | 7 | 4 | 5.24 | 2 |
| 9 | 585.76 | 1 | 7 | 4 | 3.05 | 1 |
| 10 | 571.70 | 1 | 7 | 4 | 3.76 | 1 |
| 11 | 560.08 | 1 | 5 | 3 | 7.05 | 2 |
| 12 | 504.62 | 1 | 5 | 4 | 4.06 | 1 |
| 13 | 513.07 | 1 | 4 | 2 | 6.12 | 2 |
| 14 | 562.72 | 0 | 5 | 3 | 4.48 | 1 |
| 15 | 585.76 | 1 | 7 | 4 | 3.05 | 1 |
| 16 | 570.70 | 1 | 7 | 5 | 3.54 | 1 |
| 17 | 571.70 | 1 | 7 | 4 | 3.76 | 1 |
| 18 | 571.75 | 1 | 4 | 4 | 5.19 | 2 |
| 19 | 532.67 | 0 | 5 | 3 | 3.94 | 1 |
| 20 | 585.73 | 1 | 7 | 4 | 4.15 | 1 |
| 21 | 572.66 | 1 | 7 | 4 | 5.24 | 2 |
| 22 | 553.69 | 1 | 4 | 3 | 5.11 | 2 |