Table 2.

Summary of best-hit molecules from screen in NSC34 cells and their in silico properties

Molecule	Serum-withdrawn NSC34		G93A cells		MW	LogP	H donor	H acceptor	Rule of 5	PSA (Å2)
	EC50 (μM)	Max % DCF decrease	DCF (% of basal)	MTT (% of control)
Resveratrol	4	54	72	134	228.3	3.09	3	3	Pass	60.68
Esculetin	1	80	−7	193	178.1	1.42	2	4	Pass	66.76
Caffeic acid phenethyl ester	2	94	36	254	284.3	3.57	2	4	Pass	66.76
Quercetin	5	43	15	160	302.2	1.63	5	7	Pass	127.45
Morin	14	123	33	128	302.2	1.63	5	7	Pass	127.45
Dipyrone	1	75	61	122	333.3	0.38	1	7	Pass	150.36
Epicatechin pentaacetate	5	95	62	159	500.5	2.44	0	11	Fail	140.72
Chlorogenic acid	0.6	50	67	134	354.3	-0.34	6	9	Fail	164.75
Quercitrin	0.9	43	74	124	448.4	0.59	7	11	Fail	186.37

Rule of 5 and molecular polar surface area calculations were performed using Pipeline Pilot software. MW, molecular weight; LogP, octanol/water partition coefficient; H donor, number of hydrogen bond donors; H acceptor, number of hydrogen bond acceptors; PSA, polar surface area (Ų).