Table 3. Predicted ADME properties of selected compounds through Qikprop analysis.

S. No.	Compound id	Molecular weight (g per mol)a	QP log P (o by w)b	QPPCacoc	QPLog HERG d	LogPMDCKe	Percentage of Human oral absorptionf
1	742503 (Specs database)	157.65	3.9	391.11	-6.781	124.3	95.61
2	742505 (Enamics)	476.81	4.87	535.24	-6.879	152.216	67.485
3	00007 (Maybridge database)	432.76	5.23	579.34	-5.853	159.289	66.815
4	95911396 (ZINC Database)	321.23	4.24	650.29	-6.234	168.578	85.698
5	00004(TOSLAB)	589.54	5.17	432.42	-5.867	162.578	80.141
aMolecular weight of the molecule. (Acceptable range 130.0-725.0.); bPredicted octanol/water partition coeffcient log P (acceptable range 2:0 to 6.5); cPredicted Caco-2 cell permeability in nm/s (acceptable range: less than 25 is poor and greater than 500 is great); dPredicted IC 50 value for blockage of HERG K+ channels (concern below -5:0); ePredicted apparent MDCK cell permeability in nm/s; fPercentage of human oral absorption (acceptable range: less than 25 percent is poor and greater than 80 percent is high)