Table 4. Pharmacokinetic Assessment of Synthesized Thioflavone and Thioflavonol Analogues (2a–2p)^a.

compound No.	molecular formula	molecular weight (g/mol)	No. HBAb	No. HBDc	molecular LogPd	molecular LogSe (mg/L)	molecular PSAf A2	drug-likeness model score	Lipinski’s rule of 5
2a	C17H1279Br2O3S	453.8874	4	0	5.86	0.64	23.80	–0.15	No
2b	C15H779Br2NO3S	438.8513	4	0	5.16	1.43	46.80	–0.67	No
2c	C19H1079Br2OS	443.8819	2	0	7.48	0.03	8.27	–0.46	No
2d	C17H1279Br2OS	421.8976	2	0	6.90	0.41	8.45	–0.55	No
2e	C15H779Br2ClOS	427.8273	2	0	6.92	0.04	8.54	–0.20	No
2f	C13H679Br2OS2	399.8227	3	0	5.78	0.30	9.56	–0.57	No
2g	C24H1579Br2NO3S2	586.8860	4	0	8.15	0.30	37.64	–0.40	No
2h	C16H1079Br2O2S	423.8768	3	1	5.69	0.88	22.20	–0.29	No
2i	C19H1079Br2O2S	459.8768	3	1	6.41	0.06	21.93	–0.31	No
2j	C24H1579Br2NO4S2	602.8809	5	1	7.08	0.52	51.30	–0.27	No
2k	C17H1279Br2O2S	437.8925	3	1	6.06	1.14	22.20	–0.42	No
2l	C17H1379Br2NO2S	452.9034	3	1	5.31	3.38	25.01	–0.36	No
2m	C15H779Br235ClO2S	443.8222	3	1	5.84	0.23	22.20	–0.08	No
2n	C15H779Br2NO4S	454.8463	5	1	4.09	17.51	60.46	–0.58	Yes
2o	C15H779Br2NO4S	454.8463	5	1	4.11	12.78	60.46	–0.44	Yes
2p	C17H1279Br2O4S	469.8823	5	1	4.79	7.14	37.46	–0.02	Yes

^aThe table above depicts all of Lipinski’s RO5 components.

^bNumber of hydrogen-bond acceptors.

^cNumber of hydrogen-bond donors.

^dOctanol–Water partition coefficient.

^eMeasured solubility.

^fTotal polar surface area.