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Table 2 Molecular properties, docking score and Glide energy of the synthesized 3,5-disubstituted benzamide molecules

From: Design, synthesis and evaluation of novel 3,5-disubstituted benzamide derivatives as allosteric glucokinase activators

Compound M. Wt.a log Pa HBAa HBDa Glide score Glide energy
5a 399.38 2.25 7 2 − 9.59 − 45.95
5b 433.82 2.85 7 2 − 11.26 − 53.63
5c 433.82 2.85 7 2 − 11.23 − 50.77
5d 433.82 2.85 7 2 − 9.97 − 43.86
5e 444.38 2.19 9 2 − 10.20 − 51.40
5f 444.38 2.19 9 2 − 10.37 − 57.62
5g 444.38 2.19 9 2 − 9.91 − 56.42
5h 413.41 2.31 7 2 − 10.69 − 56.89
5i 351.34 0.95 7 2 − 10.12 − 50.57
6a 404.42 2.84 6 2 − 11.22 − 48.59
6b 438.86 3.44 6 2 − 9.96 − 53.62
6c 438.86 3.44 6 2 − 10.98 − 53.01
6d 438.86 3.44 6 2 − 10.86 − 38.77
6e 449.41 2.78 8 2 − 10.35 − 56.93
6f 449.41 2.78 8 2 − 9.86 − 56.19
6g 449.41 2.78 8 2 − 10.31 − 56.48
6h 418.44 2.97 6 2 − 11.11 − 57.19
6i 356.37 1.54 6 2 − 9.62 − 47.28
  1. aMol. Wt., LogP, HBA, and HBD were calculated using MarvinSketch (Marvin 15.9.21, 2015, ChemAxon, Budapest, Hungary)