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Table 3 Physicochemical properties of selected compounds

From: In vitro growth inhibitory activity of Medicines for Malaria Venture pathogen box compounds against Leishmania aethiopica

MMV ID R1 R2 R3 R4 R5 R6 Reference
MMV688179 403.3 4 3 4 2.5 142 [29]
MMV085071 348.4 0 7 4 1.3 67.3 [30]
MMV688415 433.5 2 6 6 2.3 69.1 [31]
MMV024406 428.3 1 5 4 3.9 61.4 [32]
MMV663250 366.1 1 3 5 3.1 33.1 [33]
MMV637229 343.9 0 2 6 5 12.5 [34]
MMV690102 417.4 2 9 6 3.3 125 [35]
MMV022478 432.9 2 5 4 3.2 74.6 [36]
MMV024829 380.5 1 4 6 4.4 48.5 [37]
MMV687812 534.5 2 13 9 2.9 122 [38]
MMV022029 449.6 2 5 8 4 69.8 [39]
  1. Description: R1 Molecular weight (g/mol), R2 H+ bond donor, R3 H+ bond receiver, R4 Rotatable bonds, R5 XLogP3-AA, R6 Polar surface area (A2). Lipinski’s rule of five (RO5) associate compounds with more than 5 H-bond donors, 10 H-bond acceptors, molecular weight greater than 500 and computational log P (ClogP) greater than 5 (or Moriguchi log P [MLogP] > 4.15) poor absorption and/or permeation