Table 3.
List of pharmacokinetics includes ADME properties of the selected three compounds. The lists also present different physicochemical properties of the three compounds.
| Properties | CID244297 | CID12230662 | CID68972 | |
|---|---|---|---|---|
| Physico-chemical attribute | MW (g/mol) | 426.73 g/mol | 414.72 g/mol | 438.8 g/mol |
| Heavy atoms | 31 | 30 | 31 | |
| Aromatic heavy atoms | 0 | 1 | 0 | |
| Rotatable bonds | 0 | 6 | 28 | |
| H-bond acceptors | 1 | 1 | 1 | |
| H-bond donors | 0 | 1 | 4 | |
| Lipophilicity | Log Po/w | 8.46 | 8.02 | 7.67 |
| Water solubility | Log S (ESOL) | Soluble | Soluble | Soluble |
| Pharmacokinetics | GI absorption | Low | Low | Low |
| Drug-likeness | Lipinski | Yes | Yes | Yes |
| Medi. Chemistry | Synth. accessibility | Easy | Easy | Easy |
Medi. Chemistry = Medicinal chemistry; Synth. Accessibility = Synthetic accessibility.