Table 2.
Drug-likeness and ADME proprieties of the lead compounds.
| Compound | MW g/mol | AccptHB | DonorHB | Nrot | TPSA (Å2) | LogP< 5 | GI absorption | BBB permeability | Bioavailability score |
|---|---|---|---|---|---|---|---|---|---|
| 3′-Hydroxy-alpha-naphthoflavone | 288.30 | 3 | 1 | 1 | 50.44 | 4.32 | High | Yes | 0.55 |
| 3′-Hydroxy-ss-naphthoflavone | 288.30 | 3 | 1 | 1 | 50.44 | 4.32 | High | Yes | 0.55 |
| Genkwanin | 284.26 | 5 | 2 | 2 | 79.90 | 2.88 | High | No | 0.55 |
| Apigenin | 270.24 | 5 | 3 | 1 | 90.90 | 2.58 | High | No | 0.55 |
| Ro 61-8048 | 421.45 | 7 | 1 | 7 | 159.96 | 4.43 | Low | No | 0.55 |
MW: molecular weight; AccptHB: acceptor hydrogen bond; DonorHB: donor H-bond; Nrot:Rotatable Bond; TPSA: Topological Polar Surface Area; Log Po/w: lipophilicity octanol/water; GI: Gastrointestinal absorption.