Table 3.

The physicochemical properties of active compound 4l compared with ACP.

Compounds	MW	Fraction Csp3	TPSA	MLogP	LogS	nHBA	nHBD	nRB
4l	391.59	0.88	47.56	4.58	− 6.52	3	1	7
ACP	292.46	0.84	37.30	4.41	− 5.69	2	1	4

MW molecular weight, Fraction Csp3 the ratio of sp³ hybridized carbons over the total carbon count of the molecule, TPSA topological polar surface area [Ų], MLogP lipophilicity parameter: Moriguchi octanol–water partition coefficient (MLogP) is based on quantitative structure-logP relationships by using topological indexes, LogS water solubility parameter, LogS scale insoluble <  − 10 < poorly <  − 6 < moderately <  − 4 < soluble <  − 2 very < 0 < highly, nHBA number of hydrogen bond acceptors, nHBD number of hydrogen bond donors, nRB number of rotatable bonds.