. 2019 Dec 2;24(23):4405. doi: 10.3390/molecules24234405

Table 2.

Predicted physicochemical properties of TFA (compound 2) and compounds 3 and 10.

Compound	MW ^a	cLogP^b	TPSA ^a	HBA ^a	HBD ^a	RB	LogBB
2	210.25	1.97	46.53	4	2	3	−0.9373
3	299.39	3.25	38.33	4	2	6	0.02948
10	270.28	2.76	66.76	4	2	4	-1.511
CNS⁺ drugs	< 500 ^c	2–5 ^c	< 90 ^c	< 7 ^d	< 3 ^d	< 8 ^d	<−1

^a Properties predicted using the Stardrop software. MW: molecular weight; TPSA: topological polar surface area; HBA: number of H-bond acceptor atoms; HBD: number of H-bond donor atoms; RB: number of rotatable bonds; logBB: logarithm of the ratio of the concentration of a drug in the brain and in the blood. ^b Properties predicted using the SwissADME (http://swissadme.ch/index.php); clogP: logarithm of the octanol/water partition coefficient. ^c Data from Hitchcock et al. [37]. ^d Data from Pajouhesh et al. [38].