Table 7.

Calculated and Determined Physicochemical Properties of the Selected Compounds

compound	MWa	tPSAb	c Log Pc	Log Dd	aq. sol (μM)e	LEf	LLEg	microsome stabilityh
4b	339	112.9	1.96	1.94	38.6	0.42	5.64	NT
4h	321	66.4	3.50	2.32	18.4	0.43	5.26	32 ± 2
4k	333	66.4	2.69	1.97	22.4	0.44	5.85	43 ± 3
4t	368	66.4	3.29	1.84	67.3	0.45	6.31	52 ± 4
4u	412	66.4	3.42	2.28	24.6	0.46	6.12	55 ± 1
4v	351	66.4	2.78	1.81	33.5	0.43	6.11	64 ± 3

^aMolecular weight.

^bTopological PSA (A²).

^cMolinspiration calculated Log P.

^dLog D was experimentally determined using the shake flask method (n-octanol and pH 7.4 PBS).

^eKinetic solubilities measured in pH 7.4 PBS buffer.

^fLE calculated using the equation: LE = −1.37 Å × log(potency(M))/heavy atom count.

^gLipophilic LE calculated using the equation: LLE = −log(potency (M)) − Log D.

^hMouse liver microsomes, half-life in minutes (reactions were run in duplicate). NT = not tested.