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. 2023 May 5;14:1185004. doi: 10.3389/fphar.2023.1185004

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