Table 1.

Descriptors and binding affinity values of highest scoring compounds upon receptor docking.

NPASS ID	Toxicity	Weight (g/mol)	TPSA	logP	S	Binding value (kcal/mol)
NPC474104	No	480.64	90.15	6.03	−8.00	−14.355008
NPC173034	No	504.51	156.6	2.28	−5.98	−13.853008
NPC476350	No	384.38	120.3	3.52	−4.54	−13.556889
NPC472630	No	502.56	145.9	4.02	−4.38	−13.469447
NPC124729	no	400.43	105.4	3.9	−4.58	−12.732084
NPC298692	no	492.61	107.2	7.05	−7.5	−12.71736
NPC164269	no	426.46	88.13	4.3	−6.10	−12.695246
NPC67197	no	460.48	110.1	5.0	−6.56	−12.586933
NPC187951	no	391.51	80.97	5.8	−6.10	−12.577618
NPC474360	no	414.45	110.13	3.09	−6.2	−12.227035
NPC189773	no	406.39	88.13	3.52	−7.1	−12.054446
NPC143050	no	374.34	130.36	2.55	−3.6	−12.021175
Control (Standard compound)
OEW	no	641.81	129.13	3.90	−6.11	−11.5384