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. 2011 Nov 1;3(1):53–57. doi: 10.1021/ml200217u

Table 2. HINT Scores by Fragment and Interaction Type.

    HINT scorea
    ring ester
compd mode HTOTAL HHB + HAB HHH HAA + HBB HHP
1 I 492 858 711 –499 –1328
7a I 518 680 583 –427 –1048
7b I 363 1069 855 –593 –1681
7c I 321 766 833 –478 –1821
7d II 570 778 226 –398 –1169
7e II 626 781 225 –364 –1015
7f II 435 665 387 –369 –1046
7g II 589 812 284 –341 –868
7h II 557 549 268 –336 –1071
7i II 581 726 237 –400 –1027
7j II 650 375 213 –236 –634
7k II 596 847 196 –403 –755
7l II 587 827 494 –240 –924
a

Interaction types: favorable polar (hydrogen bond, HHB, and acid/base, HAB), hydrophobic (HHH), unfavorable polar (acid/acid, HAA, and base/base, HAB), and unfavorable hydrophobic polar (HHP).