Synthesis, Anticancer Assessment, and Molecular Docking of Novel Chalcone-Thienopyrimidine Derivatives in HepG2 and MCF-7 Cell Lines

Table 6

Physicochemical properties and DLSs of compounds 3a-g, DRO, and venetoclax.

Comp.	Log	Solubility	TPSA	%Abs	BS	DLS
3a	-6.99		190.44	43.30	0.17	1.01
3b	-6.66		218.13	33.75	0.17	1.35
3c	-6.48		236.26	27.49	0.17	0.81
3d	-5.82		175.76	48.36	0.17	1.42
3e	-6.13		202.69	39.07	0.17	1.68
3f	-5.64		193.89	42.11	0.17	0.82
3g	-6.90		218.75	33.53	0.17	0.17
DRO	-7.14		84.46	79.86	0.17	0.38
LBM	-9.78		183.09	45.83	0.17	0.57

Log : 10-based logarithm of the solubility; TPSA: topological polar surface area (Ų); %Abs: % absorbed orally, ; BS: bioavailability score; LBM: venetoclax. DLSs were calculated using Molsoft (http://molsoft.com/mprop).