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. 2022 Jun 2;9:836572. doi: 10.3389/fmolb.2022.836572

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).