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. 2022 Jan 27;12:1503. doi: 10.1038/s41598-022-05349-x

Table 2.

Physiochemical parameters of selected SARS-CoV-2 Mpro proposed inhibitors from mushrooms.

Parameters M_78 M_82 M_83 M_88 M_111 M_112 M_201 M_366 M_421 M_505
MW 410.37 399.28 414.32 439.35 458.46 340.33 382.32 366.32 540.60 554.63
Acceptable Range  ≤ 500  ≤ 500  ≤ 500  ≤ 500  ≤ 500  ≤ 500  ≤ 500  ≤ 500  ≤ 500  ≤ 500
NHBA 8 10 10 10 7 6 8 7 9 9
Acceptable Range  ≤ 10  ≤ 10  ≤ 10  ≤ 10  ≤ 10  ≤ 10  ≤ 10  ≤ 10  ≤ 10  ≤ 10
NHBD 4 4 4 4 4 5 5 4 4 3
Acceptable Range  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5
MR 108.40 95.81 102.07 110.38 127.88 93.92 100.77 98.75 136.97 141.70
Acceptable Range 40–130 40–130 40–130 40–130 40–130 40–130 40–130 40–130 40–130 40–130
iLOGp 2.39 1.48 2.37 2.26 2.72 2.15 1.74 1.83 3.811 2.93
Acceptable Range  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5  ≤ 5

The parameters MW molecular weight, NHBA number of H-bond acceptors, NHBA number of H-bond donors, MR molar refractivity, iLOGp n-Octanol/Water partition coefficient).