Table 1.

Chemoinformatics analysis for hit dataset, C1, and C2 after the virtual screening. Molecular weight (MW), lipophilicity (logP), number of rings, and number of aromatic rings were listed for the entire hit dataset as well as compounds C1 (ZINC00907702) and C2 (ZINC20102709). Molecular weight values were calculated in Daltons (Da). ^a All the physicochemical properties for the hit dataset were estimated as average values.

Physicochemical Property	Hit Dataset a	C1	C2
MW (Da)	3.766	351.43	452.47
LogP	3.544	4.260	4.800
Number of rings	3.421	3	6
Number of aromatic rings	2.537	3	2