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. 2021 Apr 3;152:112160. doi: 10.1016/j.fct.2021.112160

Table 6.

Comparative analysis of reported in silico based identified phytochemicals and category A and B drugs on the basis of key molecular descriptors employed. The values represent mean values for the molecular descriptors.

Parametersa Possible leads identified from in silico-based studies from natural sources against Covid-19 FDA-approved drugs for the antiviral/anti-infective category in the last 5 years (Category A) FDA approved drugs derived from natural sources (Category B)
MW (g/mol) 456.33 513.97 603.95
TPSA (Å2) 147.92 145.50 195.61
nROTB 3.815 7.78 10.53
nHBDon 5.003 2.95 5.26
nHBAcc 9.085 9.13 12.38
AlogP −1.30 −0.86 2.14
a

Represents mean value.