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Table 6 Drug-likeness and medicinal chemistry of pterocapans

From: Pharmaco-chemical profiling of Desmodium gangeticum (L.) DC. with special reference to soil chemistry

Drug-likeness and medicinal chemistry
Log s Drug-likeness Bioavailability Medicinal properties Synthetic accessibility
Lipinski Ghose Veber Egan Mugge TPSA (A2) PAINS (alert) Lead likeness
1a − 5.98 × 0.55 57.15 0 Noa 4.94
1b − 5.74 0.55 46.15 0 Noa 4.90
1c − 2.82 0.55 68.15 0 Yes 4.38
1d − 4.60 0.55 66.38 0 Noa 4.57
  1. 1a, gangetin; 1b, gangetinin;, 1c, desmocarpin; 1d, desmodin; Log s, solubility class; TPSA, topological polar surface area; PAINS, pan-assay interference structure
  2. aMolecular weight < 350