Skip to main content

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