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Table2 Properties of the selected compounds as a drug candidate

From: In silico screening and molecular docking study of compounds from Pedalium murex L. with Vasopressin2 receptor target for Autosomal Dominant Polycystic Kidney Disease

S. nos Compound Mol weight (g/mol) clogp TPSA Solubility H-donor H-acceptor Druglikeness Drug score
1 Diosmetin 300 2.27 96.22 − 2.87 3 6 2.07 0.83
2 Hispidulin 300 2.27 96.22 − 2.87 3 6 1.11 0.77
3 Luteolin 286 1.99 107.2 − 2.56 4 6 1.9 0.84
4 Quercetin 302 1.49 127.4   5 7 1.6 0.3
5 Caffeic acid 180 0.78 77.76 − 1.41 3 4 1.62 0.19
6 Vanillic acid 168 0.73 66.76 − 1.35 2 4 − 1.31 0.35
7 Saponins 1130 − 0.7 388 − 4.87 12 24 − 10.72 0.12
  1. Properties of the selected natural compounds show that diosmetin, hispidulin, and luteolin show better drug properties, whereas luteolin with molecular weight 286 g/mol shows best properties as compared to other compounds