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. 2020 Dec 31;6(1):301–316. doi: 10.1021/acsomega.0c04595

Table 7. Drug Likeness Predictions and Docking Scores of the Selected Compounds.

comp. no. Lipinski violations Ghose violations Veber violations Egan violations Muegge violations bioavailability score binding affinity (kcal/mol)
7 0 0 0 0 0 0.55 –8.0
8 0 0 0 0 0 0.55 –6.9
16 1 0 0 0 0 0.55 –7.8
17 2 4 1 1 2 0.17 –9.4
18 1 0 0 0 1 0.55 –8.5
19 0 0 0 0 0 0.55 –7.5
20 0 0 0 0 0 0.55 –8.4
21 0 0 0 0 0 0.55 –7.9
22 1 1 0 0 1 0.55 –9.9
23 1 0 0 0 0 0.55 –8.1
24 1 1 0 1 1 0.55 –8.8
25 0 0 0 0 0 0.55 –9.1
26 0 0 0 0 0 0.55 –8.9
27 1 0 0 0 0 0.55 –8.9