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Table 3 Lipinski rule of five filter including TPSA for the top poses

From: Molecular docking studies of quercetin and its analogues against human inducible nitric oxide synthase

SN Compound ID HBA HBD Mol. Wt. XLog P3 Rot B TPSA
1 5281604 7 4 316.26 1.3 2 116
2 5315126 7 5 370.35 3.5 3 127
3 9818879 7 4 330.29 1.6 4 116
4 5481966 7 5 370.35 4.1 3 127
5 5282154 8 5 332.26 1.5 2 137
6 13964550 6 3 300.26 1.2 2 96.2
7 5281691 7 4 316.26 1.9 2 116
8 11834044 7 4 316.26 2.5 2 116
9 6477685 6 4 312.27 2.0 2 107
10 Quercetin 1 5 302.23 1.5 1 127