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. 2022 Mar 23;23(7):3487. doi: 10.3390/ijms23073487

Table 3.

The ten best common feature-derived hypothetical pharmacophores constructed on the basis of four clinically approved EGFR inhibitors.

Pharmacophore Hypothesis Rank Direct Hit Partial Hit Max Hit Features
Pharm1 54.25 1101 0010 6 RRHHAA
Pharm2 53.04 1111 0000 6 HHHDAA
Pharm3 52.64 1101 0010 6 RRHHAA
Pharm4 52.48 1111 0000 5 RRHAA
Pharm5 52.32 1101 0010 6 RRHHAA
Pharm6 52.32 1101 0010 6 RRHHAA
Pharm7 52.25 1101 0010 6 RRHHAA
Pharm8 52.25 1101 0010 6 RRHHAA
Pharm9 52.20 1111 0000 5 RRHAA
Pharm10 52.20 1111 0000 5 RRHAA

Features: A, hydrogen bond acceptor; D, hydrogen bond donor; H, hydrophobic area; and R, ring aromatic.