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| Ligand | MW (<500) | HBD (<5) | HBA (<10) | Number of rotatable bonds | miLogP | Drug likeness (Lipinski violations) | Lead likeness | Molar refractivity | TPSA (Å2) | Skin permeation (LogKp) (cm/s) | GI- absorption | BBB permeant | CYP1A2 inhibitor | Bioavailability score | Water solubility (Log S) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cynaroside | 448.4 | 7 | 11 | 4 | 0.19 | Yes; 2 violations | No; 1 violation: MW > 350 | 108.13 | 190.28 | −8.00 | Low | No | No | 0.17 | −3.65 (Soluble) |
