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. 2020 Jul 15:1–13. doi: 10.1080/07391102.2020.1791957

Table 6.

Synthetic accessibility and bioavailability score of top screened molecules.

Ligand No. Hit structures Bioavailability score Synthetic accessibility score
ZINC13144609
1,4-bis(1H-benzo[d]imidazol-2-yl)butane-1,2,3,4-tetraol		 graphic file with name TBSD_A_1791957_ILG0002_B.gif 0.55 3.79
ZINC01581128
3-((7,10-dihydroxy-2-(2-((2-hydroxyethyl)
ammonio)ethyl)-6-oxo-2,6-dihydrodibenzo
[cd,g]indazol-5-yl)
amino)propan-1-aminium		 graphic file with name TBSD_A_1791957_ILG0003_B.gif 0.55 3.26
ZINC06062920
3-((6-hydroxy-2-(2-((2-hydroxyethyl)ammonio)ethyl)-7,10-dioxo-1,2,6,7,10,10b-hexahydrodibenzo[cd,g]indazol-5-yl)amino)propan-1-aminium		 graphic file with name TBSD_A_1791957_ILG0004_B.gif 0.55 3.57
ZINC03022586
N2,N7-bis(2-hydroxyethyl)-9H-fluorene-2,7-disulfonamide		 graphic file with name TBSD_A_1791957_ILG0005_B.gif 0.55 3.19
ZINC00134422
2-(2-hydroxyethyl)-6-propylpyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone		 graphic file with name TBSD_A_1791957_ILG0006_B.gif 0.55 2.15