TABLE 4.
Score, pharmacophoric features, and aligned compounds in the best pharmacophore model generated by PharmaGist.
Score | F | SF | Aro | Hyd | Don | Acc | Neg | Pos | Aligned compounds |
---|---|---|---|---|---|---|---|---|---|
64.640 | 7 | 7 | 3 | 0 | 0 | 4 | 0 | 0 | 1*, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15 |
F, number of features; SF, spatial features; Aro, aromatic groups; Hyd, hydrophobic groups; Don, donor groups; Acc, acceptor groups; Neg, anionic atoms; Pos, cationic atoms. 1*, pivot molecule (Roc-A).