Table 1.
Physicochemical properties of the flavonoid acetamide derivatives, based on Swiss ADME.
| Compound | MW | TPSA (Ų) | R.B | H.A | H.D | L.V | Log S (ESOL) |
|---|---|---|---|---|---|---|---|
| 4 | 530.44 | 259.72 | 13 | 11 | 5 | 2 | −2.11 |
| 11 | 384.34 | 155.08 | 7 | 7 | 3 | 0 | −3.17 |
| 15 | 457.39 | 207.40 | 10 | 9 | 4 | 1 | −2.75 |
| 5 | 616.53 | 275.02 | 18 | 13 | 4 | 2 | −2.31 |
| 7 | 499.43 | 205.63 | 10 | 10 | 3 | 1 | −2.51 |
Key: TPSA—topological polar surface area, R.B—number of rotatable bonds, L.V—number of Lipinski rule of 5 violations, H.A—number of hydrogen bond acceptors, H.D—number of hydrogen bond donors, MW—Molecular weight, Log S (ESOL)—Estimated solubility.