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Table 3 Pharmacokinetics properties

From: Computational virtual screening and structure-based design of some epidermal growth factor receptor inhibitors

Molecule MW No. of H-bond acceptors No. of H-bond donors TPSA WLOGP No. of Lipinski’s rule violations
Molecule 1 486.57 6 2 100.44 3.5 0
Molecule 2 516.59 7 2 109.67 3.51 1
Molecule 3 500.6 6 2 100.44 3.81 0
Molecule 4 528.65 6 2 100.44 4.62 1
Molecule 5 514.62 6 2 100.44 4.06 1
Molecule 6 504.56 7 2 100.44 4.06 1
Molecule 7 521.01 6 2 100.44 4.15 1
Molecule 8 565.46 6 2 100.44 4.26 1
Molecule 9 612.47 6 2 100.44 4.1 1
Molecule 10 504.56 7 2 100.44 4.06 1
Molecule 11 521.01 6 2 100.44 4.15 1
Molecule 12 565.46 6 2 100.44 4.26 1
Molecule 13 555.46 6 2 100.44 4.81 1
Molecule 14 583.46 7 2 100.44 4.82 1
Molecule 15 539 7 2 100.44 4.71 1
Molecule 16 480.61 6 2 100.44 3.7 0
Molecule 17 526.63 6 2 100.44 3.62 1
Molecule 18 610.45 6 2 100.44 3.1 1
Molecule 19 513.59 6 2 106.43 4.08 1
Molecule 20 597.41 6 2 106.43 3.56 1
Molecule 21 628.46 6 3 120.41 3.4 1
Molecule 22 542.63 6 3 120.41 2.91 1
Molecule 23 626.45 6 3 120.41 2.39 1
Molecule 24 529.59 6 3 126.4 3.37 1
Molecule 25 613.41 6 3 126.4 2.86 1
Molecule 26 515.61 6 3 112.47 3.79 1
Molecule 27 543.66 6 3 112.47 4.83 1
Molecule 28 569.7 6 3 112.47 5.37 1