Table 1.

Theoretical molecular descriptor of the PHCSBD

Compound	NRB	HBA	HBD	logP	TPSA	MW	Vol	BIPcaco-2	logB/B	logS
BepBeH	5	6	2	4.01	79.51	396.45	358.70	1.39	−0.063	−4.07
BepINH	5	7	2	3.46	92.41	397.44	354.55	1.08	0.257	−0.44