Bioavailability of ICA38 and synthesized compounds 8i, 13c, 13d and 18b using ACD/Labs Percepta 2016 Build 2911 (13 Jul 2016). MW: molecular weight, HBD: H-bond donors, HBA: H-bond acceptors, log P: octanol–water partition coefficient, NRB: number of rotatable bonds, TPSA: topological polar surface area, PPB: plasma protein binding.

Analogues	MW	HBD	HBA	Clog P (Chemdraw)	log P	NRB	TPSA	Solubility (mg mL−1)	Caco-2 (×10−6 cm s−1)	PPB (%)
8i	401.3	2	4	3.09	4.66	2	58.20	0.007	186	98
13c	281.4	1	2	5.18	5.13	2	29.10	0.002	190	95
13d	305.4	1	2	4.69	4.91	2	29.10	0.007	207	97
18b	407.4	1	3	6.34	5.99	3	70.23	0.008	77	99
3	363.3	2	3	5.67	5.49	2	44.89	0.001	91	96
ICA38	346.4	2	3	5.89	5.17	2	44.89	0.0007	132	96