Table 2. In silico ADME properties of 5,6-benzoflavone derivatives.

	Absorption				Distribution
Compound	Human intestinal absorption (HIA)%	In vitro Caco-2 cell permeability (nm s–1)	In vitro MDCK cell permeability (nm s–1)	In vitro skin permeability (log Kp) cm h–1	In vitro plasma protein binding (%)	In vivo blood brain barrier penetration (Cbrain/Cblood)
B-1	100.00	56.73	50.02	–2.65	95.97	2.75
B-2	98.80	57.28	2.31	–2.80	95.48	0.08
B-3	97.64	56.64	4.46	–2.93	93.63	0.04
B-4	97.64	56.64	4.46	–2.93	93.03	0.04
B-5	98.80	27.98	7.46	–1.73	96.49	1.70
B-6	98.80	27.90	0.13	–1.73	99.05	1.36
B-7	100.00	54.71	20.11	–2.91	98.40	2.17
B-8	100.00	54.75	27.06	–2.94	100.00	0.28
B-9	100.00	55.39	3.48	–2.94	100.00	0.24
B-10	100.00	53.72	6.62	–3.06	99.69	1.82
B-11	100.00	54.73	0.87	–3.09	100.00	0.30
B-12	100.00	73.77	10.53	–3.12	100.00	0.30
B-13	100.00	53.76	8.28	–3.09	100.00	0.39
B-14	100.00	54.70	23.36	–3.09	100.00	0.38
B-15	100.00	47.91	26.61	–2.70	96.47	0.42
B-16	100.00	50.14	20.56	–2.62	100.00	0.80
B-17	100.00	46.44	0.16	–2.57	100.00	1.27
B-18	100.00	46.57	0.12	–2.58	100.00	0.45
B-19	100.00	46.46	0.01	–2.58	100.00	0.46
B-20	100.00	46.45	0.23	–2.62	100.00	1.07
B-21	100.00	46.43	0.18	–2.64	100.00	0.36
B-22	98.49	21.43	0.42	–2.86	95.25	0.01
B-23	98.49	15.17	0.33	–2.86	96.00	0.01
B-24	96.03	20.38	0.06	–2.83	94.55	0.04
B-25	100.00	56.22	5.38	–2.56	95.75	0.36
B-26	100.00	41.23	0.93	–1.89	99.68	0.95
B-27	100.00	41.36	0.07	–1.89	98.73	1.11
B-28	100.00	41.61	3.42	–1.89	97.32	0.58
B-29	100.00	42.14	0.04	–1.47	95.99	3.89
B-30	100.00	48.21	0.15	–1.96	99.97	0.85
B-31	100.00	47.41	0.07	–1.96	100.00	1.20
B-32	100.00	47.73	1.05	–1.95	100.00	0.72
B-33	100.00	47.72	1.22	–1.96	98.13	0.77
B-34	100.00	48.21	0.06	–1.96	100.00	1.49
B-35	100.00	48.63	0.04	–1.96	100.00	1.61
B-36	100.00	25.60	2.79	–2.60	100.00	0.39
B-37	100.00	25.58	18.06	–2.60	100.00	0.49
B-38	100.00	57.87	0.37	–2.81	92.67	0.16
B-39	97.37	45.13	2.63	–2.79	94.14	0.03
B-40	97.37	48.99	0.22	–2.79	93.78	0.02