Table 1.
ADMET Properties of selected Thiazolide Derivates.
| Compounds | ESOL Class | GI Absorption | BBB Penetration | Lipinski violations | Toxicity | Carcinogenicity |
|---|---|---|---|---|---|---|
| Comp1 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp2 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp3 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp4 | Soluble | High | No | 3 | Non-Toxic | Non-Carcinogenic |
| Comp5 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp6 | Soluble | High | No | 2 | Non-Toxic | Non-Carcinogenic |
| Comp7 | Soluble | High | No | 3 | Non-Toxic | Non-Carcinogenic |
| Comp8 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp9 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp10 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp11 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp12 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp13 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp14 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp15 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp16 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp17 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp18 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
| Comp19 | Soluble | High | No | 0 | Non-Toxic | Non-Carcinogenic |
Thus, due to Lipinski’s rules violations, Comp4, Comp6 and Comp7 were excluded from docking.