Table 4.

Some physicochemical parameters of the compounds 3a–3j and reference drugs used in the prediction of ADME profiles.

Comp.	MW (g/mol)	logP	TPSA (ANG2)	HBA	HBD	Vol (ANG3)	Vio	BBB
3a	363.49	4.10	63.59	6	1	291.83	0	+
3b	377.52	4.47	63.59	6	1	308.39	0	+
3c	377.52	4.32	63.59	6	1	308.39	0	+
3d	442.38	5.03	63.59	6	1	309.72	1	+
3e	408.49	4.18	109.41	7	1	315.17	0	+
3f	347.42	3.46	76.73	6	1	282.69	0	+
3g	361.45	3.68	76.73	6	1	299.25	0	+
3h	392.42	3.54	122.55	7	1	306.02	0	+
3i	358.45	2.96	76.48	6	1	296.96	0	+
3j	358.45	2.91	76.48	6	1	296.96	0	+
Selegiline	187.29	2.64	3.24	1	0	202.64	0	+
Clorgiline	272.18	3.74	12.47	2	0	238.91	0	+