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

Future Journal of Pharmaceutical Sciences

Table 6 Drug-likeness and medicinal chemistry of pterocapans

Drug-likeness and medicinal chemistry
Log s		Drug-likeness					Bioavailability	Medicinal properties			Synthetic accessibility
Log s		Lipinski	Ghose	Veber	Egan	Mugge	Bioavailability	TPSA (A²)	PAINS (alert)	Lead likeness	Synthetic accessibility
1a	− 5.98	√	√	√	√	×	0.55	57.15	0	No^a	4.94
1b	− 5.74	√	√	√	√	√	0.55	46.15	0	No^a	4.90
1c	− 2.82	√	√	√	√	√	0.55	68.15	0	Yes	4.38
1d	− 4.60	√	√	√	√	√	0.55	66.38	0	No^a	4.57

1a, gangetin; 1b, gangetinin;, 1c, desmocarpin; 1d, desmodin; Log s, solubility class; TPSA, topological polar surface area; PAINS, pan-assay interference structure
^aMolecular weight < 350