TABLE 4.
Predicted IC50 by HM and analysis results of the property explorer applet of new designed compounds.
| No. | Pre.IC50 | Toxicity | LogP | Solubility | Mol weights | TPSA | Druglikeness | Drug score |
|---|---|---|---|---|---|---|---|---|
| 31 | 0.758 | Good | 2.81 | −3.65 | 244 | 89.52 | 0.68 | 0.69 |
| 31a | 0.139 | Good | 1.43 | −2.31 | 251 | 113.3 | 0.47 | 0.75 |
| 31b | 0.446 | Good | 2.73 | −3.79 | 302 | 115.8 | −3.46 | 0.42 |
| 31c | 0.366 | Good | 2.81 | −3.65 | 244 | 89.52 | −0.11 | 0.61 |
| 31d | 0.212 | Good | 3.42 | −4.39 | 278 | 89.52 | 0.45 | 0.59 |
| 31e | 0.449 | Good | 2.41 | −3.55 | 246 | 89.52 | −2.93 | 0.45 |