Table 1 Drug likeness and pharmacokinetic properties of AGP derivatives
Compounds | MW | logP | HBA | HBD | Rotatable bond | TPSA | BBB permeant | GI Absorption | BA scores |
|---|---|---|---|---|---|---|---|---|---|
1 AGP | 350.45 | 1.96 | 5 | 3 | 3 | 86.99 | No | High | 0.55 |
2 | 482.57 | 3.23 | 7 | 3 | 4 | 105.45 | No | High | 0.55 |
3 | 484.58 | 3.21 | 7 | 4 | 5 | 116.45 | No | High | 0.55 |
4 | 454.56 | 3.21 | 6 | 4 | 4 | 107.22 | No | High | 0.55 |
5 | 470.56 | 2.91 | 7 | 5 | 4 | 127.45 | No | High | 0.55 |
6 | 483.55 | 3.93 | 7 | 3 | 5 | 132.81 | No | Low | 0.55 |
7 | 473.00 | 4.15 | 5 | 3 | 4 | 86.99 | No | High | 0.55 |
8 | 524.43 | 4.52 | 7 | 2 | 6 | 105.95 | No | High | 0.55 |
9 | 470.55 | 3.88 | 7 | 3 | 6 | 113.29 | No | High | 0.55 |
10 | 482.50 | 4.45 | 7 | 1 | 3 | 83.47 | No | High | 0.55 |
11 | 484.59 | 4.44 | 7 | 2 | 4 | 94.46 | No | High | 0.55 |
12 | 454.56 | 4.43 | 6 | 2 | 3 | 85.23 | No | High | 0.55 |
13 | 470.56 | 4.13 | 7 | 3 | 3 | 105.46 | No | High | 0.55 |
14 | 483.56 | 5.16 | 7 | 1 | 4 | 110.83 | No | High | 0.55 |
15 | 473.01 | 5.38 | 5 | 1 | 3 | 65.00 | Yes | High | 0.55 |
16 | 547.67 | 4.87 | 8 | 3 | 8 | 147.61 | No | Low | 0.55 |
17 | 470.56 | 3.53 | 7 | 3 | 6 | 113.29 | No | High | 0.55 |
REM | 602.58 | 3.28 | 12 | 4 | 14 | 213.36 | No | Low | 0.17 |
HCQ | 335.87 | 3.35 | 3 | 2 | 9 | 48.39 | yes | High | 0.55 |