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. 2022 Jan 16;27(2):554. doi: 10.3390/molecules27020554

Table 2.

Drug-likeliness and physiochemical properties of top 2 best docked compounds.

Compound ID Physiochemical Properties Drug-Likeliness (Violations for Different Rules) Medicinal Chemistry
Molecular Weight
(g/mol)
H-Bond Donor H-Bond Acceptor Topological Polar Surface Area
2)
Number of Rotatable Bonds Lipinski Rule of 5 Veber Rule Egan Rule Muegge Rule PAINS Alert Brenk Alert Synthetic Accessibility
Top 1 445.53 2 3 75.85 8 0 0 0 0 0 0 3.75
Top 2 427.51 2 4 80.20 9 0 0 0 0 0 0 3.29