Table 3. In silico ADME/toxicity analysis.
| Leadscope Grouping | PubChem SID | Aqueous Solubility | Bioavailability | CYP2D6 inhibition | Blood brain barrier |
| Cluster 1 | 856002 (Ebselen) | Low | High | Non-inhibitor | High |
| 17387000 | Low | High | Non-inhibitor | High | |
| 24785302 | Low | Moderate | Inhibitor | Very High | |
| 3716597 | Low | Low | Inhibitor | Medium | |
| 24830882 | Good | High | Non-inhibitor | High | |
| 16952891 | Low | Moderate | Non-inhibitor | Medium | |
| Singletons | 22401406 | Extremely Low | Moderate | Non-inhibitor | Undefined |
| 24797131 | Good | High | Inhibitor | Medium | |
| 17386310 | Good | Moderate | Non-inhibitor | Medium | |
| 14728414 | Low | Moderate | Inhibitor | High |