Skip to main content
. 2021 May 25;27:101024. doi: 10.1016/j.bbrep.2021.101024

Table 2.

ADMET profiles of the top selected compounds.

AMEDT/ID 1 2 3 4 5
MW 270.32 364.35 352.34 320.34 336.34
TPSA 49.69 78.13 100.13 59.67 79.9
LogP o/w 2.62 3.51 2.89 3.07 2.47
LogS −4.66 −3.57 −3.36 −3.9 −3.61
HBA 3 6 6 4 5
HBD 2 1 3 1 2
RB 1 1 1 1 1
HIA 0.99 0.95 0.97 0.97 0.97
HOB 0.61 0.55 0.51(−) 0.51 0.58(−)
Caco-2 0.84 0.51 0.64 0.6 0.7
%AB 82.86 73.05 65.46 79.42 72.44
BBB 0.84 0.93 0.79 0.83 0.23(−)
PPB 1.12 0.87 0.916 0.83 0.84
h-ERG 0.48(−) 0.47(−) 0.59(−) 0.63(−) 0.56(−)