Table 1.

In silico toxicity predictions for the lapachol derivatives.

	MOLECULES
TOXICITY PREDICTIONS	V	VI	VIII	IX	X
AMES toxicity	Yes	No	No	No	No
Max. tolerated dose log(mg/kg/day)	0.06	0.136	0.743	0.719	0.296
hERG I inhibitor	No	No	No	No	No
hERG II inhibitor	No	No	No	No	No
Hepatotoxicity	Yes	Yes	No	Yes	Yes
Skin Sensitisation	No	No	No	No	No
T.pyriformis toxicity log(ug/L)	0.449	0.689	0.541	0.523	0.542
Minnow toxicity log LC50	1.713	1.455	1.278	0.718	1.334