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. 2021 May 18;26(1):389–407. doi: 10.1007/s11030-021-10233-3

Table 2.

Structure and chemical properties of shortlisted natural aromatic compounds

Descriptor Compound name and values
GRL-0617 Caesalpiniaphenol A Sappone B 3’-Deoxysappone B 1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid Clausine-Z
2D Structure graphic file with name 11030_2021_10233_Figb_HTML.gif graphic file with name 11030_2021_10233_Figc_HTML.gif graphic file with name 11030_2021_10233_Figd_HTML.gif graphic file with name 11030_2021_10233_Fige_HTML.gif graphic file with name 11030_2021_10233_Figf_HTML.gif graphic file with name 11030_2021_10233_Figg_HTML.gif
Molecular weight 304.393 316.309 302.282 286.283 216.24 227.219
LogP 4.22142 1.6553 1.3523 1.6467 1.2668 2.5448
#Rotatable bonds 3 3 2 2 1 1
#Acceptors 2 6 6 5 2 3
#Donors 2 3 4 3 3 3
Surface area 135.681 132.079 125.394 120.600 92.282 96.119