Table 1.

Pharmacophoric model descriptors, binding affinity (BA), and results of the Pearson correlation matrix.

Molecules	ATM	FEA	HYD	DON	ACC	BA	pKi (µM)
1 *	49	10	3	2	3	−7.755	2.103
2	48	9	4	1	2	−7.709	2.273
3	96	34	24	0	10	−9.413	0.128
4	99	35	25	0	10	−9.230	0.175
5	105	37	27	0	10	−9.216	0.179
6	114	43	33	0	10	−9.214	0.180
7	102	37	27	0	10	−9.031	0.245
8	98	37	26	0	10	−9.009	0.254
9	101	38	27	0	10	−8.681	0.442
10	106	36	26	1	9	−8.655	0.461
11	103	37	27	1	9	−8.600	0.506
12	103	36	26	1	9	−8.589	0.516
13	106	36	26	1	9	−8.533	0.567
14	109	37	27	1	9	−8.533	0.570
15	103	37	27	1	9	−8.529	0.573
16	106	37	27	1	9	−8.526	0.607
ATM	1.000	-	-	-	-	-	-
FEA	0.988	1.000	-	-	-	-	-
HYD	0.989	0.998	1.000	-	-	-	-
DON	−0.477	−0.563	−0.563	1.000	-	-	-
ACC	0.939	0.967	0.955	−0.671	1.000	-	-
BA	−0.719	−0.769	−0.763	0.849	−0.870	1.000	-

* Pivot Molecule; Atoms (ATM), Features (FEA), Aromatic (ARO), Hydrophobic (HYD), Acceptors (ACC) Donors (DON).