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. 2024 Sep 20;9(39):40897–40906. doi: 10.1021/acsomega.4c06115

Table 8. Physicochemical Property In Silico Analysis.

tested compounds c log P total surface area relative PSA ligand efficiency lipophilic ligand efficiency shape index molecular flexibility molecular complexity
1 2.28 153.23 0.25 0.82 5.5 0.46 0.36 0.79
2 1.56 134.6 0.29 0.85 5.9 0.50 0.38 0.74
3 2.28 153.23 0.25 0.79 5.2 0.53 0.31 0.76