Table 7.
Physicochemical Molinspiration bioactivity score.
| Compound | GPCR ligand | Ion channel modulator | Kinase inhibitor | Nuclear receptor ligand | Protease inhibitor | Enzyme inhibitor | 
|---|---|---|---|---|---|---|
| 8b | 0.04 | −0.07 | 0.59 | −0.18 | −0.25 | 0.16 | 
| 9b | 0.00 | −0.12 | 0.37 | −0.12 | −0.23 | 0.03 | 
| 10b | 0.08 | −0.10 | 0.59 | −0.27 | −0.15 | 0.16 | 
| 12a | −0.28 | −0.34 | −0.00 | −0.82 | −0.61 | −0.12 | 
| 12b | 0.02 | −0.11 | 0.41 | −0.25 | −0.25 | 0.11 | 
| 12c | 0.00 | −0.19 | 0.42 | −0.10 | −0.27 | 0.04 | 
| 14d | −0.20 | −0.27 | −0.13 | −0.51 | −0.49 | 0.07 | 
| 14e | 0.01 | −0.13 | −0.04 | −0.64 | 0.06 | 0.06 | 
| 14f | −0.21 | −0.33 | −0.06 | −0.62 | −0.09 | 0.04 | 
| 16d | 0.08 | −0.15 | 0.21 | 0.24 | −0.15 | 0.11 |