Table 3 Lipinski rule of five filter including TPSA for the top poses
SN | Compound ID | HBA | HBD | Mol. Wt. | XLog P3 | Rot B | TPSA |
|---|---|---|---|---|---|---|---|
1 | 5281604 | 7 | 4 | 316.26 | 1.3 | 2 | 116 |
2 | 5315126 | 7 | 5 | 370.35 | 3.5 | 3 | 127 |
3 | 9818879 | 7 | 4 | 330.29 | 1.6 | 4 | 116 |
4 | 5481966 | 7 | 5 | 370.35 | 4.1 | 3 | 127 |
5 | 5282154 | 8 | 5 | 332.26 | 1.5 | 2 | 137 |
6 | 13964550 | 6 | 3 | 300.26 | 1.2 | 2 | 96.2 |
7 | 5281691 | 7 | 4 | 316.26 | 1.9 | 2 | 116 |
8 | 11834044 | 7 | 4 | 316.26 | 2.5 | 2 | 116 |
9 | 6477685 | 6 | 4 | 312.27 | 2.0 | 2 | 107 |
10 | Quercetin | 1 | 5 | 302.23 | 1.5 | 1 | 127 |