Table 2.

Substituent pattern and some physicochemical parameters of the compounds 6-24 used in prediction of ADME profiles.

Comp.	R1	R2	R3	MW	logP	TPSA	HBA	HBD	Vol	Vio
6	H	H	H	358.38	4.85	70.14	5	2	311.26	0
7	Cl	H	H	392.82	5.48	70.14	5	2	324.80	1
8	H	Cl	H	392.82	5.50	70.14	5	2	324.80	1
9	H	H	Cl	392.82	5.52	70.14	5	2	324.80	1
10	Cl	H	Cl	427.27	6.13	70.14	5	2	338.33	1
11	NO2	H	H	403.37	4.76	115.97	8	2	334.59	0
12	H	NO2	H	403.37	4.78	115.97	8	2	334.59	0
13	H	H	NO2	403.37	4.80	115.97	8	2	334.59	0
14	F	H	H	376.37	4.96	70.14	5	2	316.19	0
15	H	F	H	376.37	4.99	70.14	5	2	316.19	0
16	H	H	F	376.37	5.01	70.14	5	2	316.19	1
17	F	H	F	394.36	5.10	70.14	5	2	321.12	1
18	CH3	H	H	372.40	5.25	70.14	5	2	327.82	1
19	H	CH3	H	372.40	5.27	70.14	5	2	327.82	1
20	H	H	CH3	372.40	5.29	70.14	5	2	327.82	1
21	OCH3	H	H	388.40	4.86	79.38	6	2	336.81	0
22	H	OCH3	H	388.40	4.88	79.38	6	2	336.81	0
23	H	H	OCH3	388.40	4.90	79.38	6	2	336.81	0
24	OCH3	H	OCH3	418.43	4.89	88.61	7	2	362.35	0

The data was determined with Molinspiration calculation software. MW: Molecular weight, logP: Octanol/water partition coefficient, tPSA: Topological polar surface area, HBA: Number of hydrogen acceptor, HBD: Number of hydrogen donor, Vol: Molecular volume, Vio: Number of violations.