Table 2. Physicochemical properties i.e. molecular weight, LogP, hydrogen bond donor, hydrogen bond acceptor, polar surface area (2D), polarizability, Van der Waal’s surface area (3D), and refractivity of top 10 ligands.

S. No.	Ligand	Molecular weight	log P	H-bond donor	H-bond acceptor	Polar surface area (2D)(Å)	Polarizability	Van der Waal’s surface area (3D)(Å)	Refractivity
1.	ZINC08952607	448.607	4.97	2	3	66.65	51.55	643.52	127.34
2.	ZINC04264850	430.614	4.253	2	4	78.76	47.10	570.78	118.55
3.	ZINC03844966	418.368	3.085	0	6	139.22	41.70	498.20	134.59
4.	ZINC04027828	396.502	4.593	2	3	49.69	43.08	551.83	110.58
5.	ZINC08952608	448.607	4.97	2	3	66.65	51.55	652.86	127.34
6.	ZINC68589458	408.457	3.639	0	3	57.69	47.28	519.18	117.16
7.	ZINC08878289	448.519	3.293	0	6	76.15	47.37	569.44	76.15
8.	ZINC33927923	391.559	5.376	1	3	54.35	44.83	614.96	116.69
9.	ZINC04082366	429.645	5.386	1	3	46.61	49.18	683.76	123.23
10.	ZINC19938609	407.466	4.311	1	5	68.23	43.86	548.94	113.78