Figure 3

Drug-likeness study of BioPhytMol compounds. (A) Compound distribution graph based on the number of compounds screened against DruLiTo (Drug-likeness Tool) filter with 6 compounds passing all 8 filters. (B) Structure of BioPhytMol compounds crossing all the filters of DruLiTo: (1) 4-((Z)-2-(3-(3,4-dimethoxystyryl)isoxazol-5-yl)vinyl)-2-methoxyphenol (2) 4-((E)-2-(5-(3,4-dimethoxystyryl)isoxazol-3-yl)vinyl)-2-methoxyphenol (3) 2-(3,4-dimethoxyphenethyl)-4-methoxyquinoline (4) (2S,3R)-6-oxo-2-((2S,3R)-3-phenyloxiran-2-yl)-3,6-dihydro-2H-pyran-3-yl cinnamate (5) (2Z,4Z,8E)-9-(benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one (6) (2Z,6Z)-7-(benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)hepta-2,6-dien-1-one. The dotted circle shows the presence of a Michael acceptor group (toxicophore).