Table 7.

Estimated pharmacokinetics and physicochemical parameters of L1 – L3.

	L1	L2	L3	Acceptable threshold (Ro5)
Physicochemical properties
Molecular weight (Da)	259.34	273.37	315.45	<500Da
LogP	4.83	5.16	6.02	<5
LogS (mol/L)	−5.18	−5.48	−6.26	0 → −6
TPSA (A2)	12.36	12.36	12.36	≤140
HBA	1	1	1	≤10
HBD	0	0	0	≤5
RotBs	2	2	4	<10
Pharmacokinetics properties
G.I. absorption	High	High	Low
B.B.B. Permeant	Yes	No	No
P-gp Substrate	No	No	Yes
LogKp (skin permeation)	−4.19	−4.01	−3.45