Table 4. Physicochemical properties of modified and parent compounds by in silico analysis.

Compound	MWa (g mol−1)	LogPb	HBAc	HBDd	NORTBe	TPSAf (Å2)
1a	412.39	3.35	8	1	4	112.27
1b	580.67	6.64	9	0	15	118.34
1c	484.50	2.93	10	1	4	163.17
1d	356.37	3.49	6	1	2	78.13
1e	384.42	4.14	6	1	4	78.13
1f	407.21	3.32	6	3	0	100.13
2a	478.49	4.59	8	1	6	112.27
2b	646.77	7.69	9	0	17	118.34
2c	550.60	4.09	10	1	6	163.17
2d	422.47	4.68	6	1	4	78.13
2e	408.44	4.37	6	2	3	89.13
2f	450.52	5.33	6	1	6	78.13
2g	422.47	4.64	6	2	4	89.13
1	328.32	2.74	6	3	0	100.13
2	394.42	3.95	6	3	2	100.13

^aMolecular weight.

^bOctanal/water partition coefficient.

^cNumber of hydrogen bond acceptors.

^dNumber of hydrogen bond donors.

^eNumber of rotatable bonds.

^fTopological polar surface area.