Table 1.

List of the top docking scored ligands and some of their ADME properties.

	Best docking score kJ/mol	Lipinski's rule of fivea
Ligand		TPSAb	miLogPc	Hydrogen bonds (acceptor/donor)
Silodosin	–33.47	97.06	2.91	7 / 4
Ebastine	–32.64	29.45	6.56	3 / 0
Salazosulfadimidine	–32.64	154.41	3.86	10 / 3
Indacaterol	–34.31	85.34	3.64	5 / 4
Chidamide	–32.22	97.11	2.22	6 / 4
Regorafenib	–34.31	92.35	4.85	7 / 3
Tasosartan	–33.89	100.56	2.48	8 / 1
Bagrosin	–32.64	58.2	3.3	4 / 2
Lumacaftor	–33.05	97.76	4.96	7 / 2
Risperidone	–32.64	64.17	2.96	6 / 0
Sitagliptin	–32.64	77.05	2.06	6 / 2

^aAll given compounds are with zero Lipinski violations.

^bTPSA: topological polar surface area of a molecule.

^cmiLogP: molinspiration’s octanol–water partition coefficient.