Table 1.

Data found on the best PharmaGist pharmacophore model.

Score	GF	SF	Ar	Hyd	Don	Acc	Neg	Pos	Molecules in multiple alignment
60.852	6	6	2	0	0	3	0	1	01*, 02, 03, 04, 05, 06, 07, 08, 09, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21.

A = number of atoms; GF = General Characteristics; SF = Spatial Characteristics; Ar = Aromatic; Hyd = Hydrophobic; Don = Hydrogen bond donor; Acc = Hydrogen bond acceptor; Neg = Anion; Pos = Cation.

*Pivot molecule (Caffeine).