Table 1 Calculated molecular properties (ChemAxon)

Development compounds

 AQ-13

291.82

3.00

1/3

30.6

0.44

 Artemisone

401.52

2.21

0/7

74.3

1.00

 DSM265

415.33

5.68

1/4

55.1

0.21

 DSM421

358.28

3.34

1/5

68.0

0.29

 ELQ300

475.85

7.20

1/4

56.8

0.13

 Ferroquine

433.76

3.54

1/3

30.6

0.26

 JPC3210

398.45

4.51

2/3

49.7

0.48

 KAF156

411.46

3.07

2/4

77.8

0.27

 KAE609

390.24

4.17

3/2

56.9

0.21

 M5717

462.57

3.53

1/5

58.9

0.41

 MMV048

393.38

2.70

1/5

85.9

0.11

 MMV052

525.73

5.91

2/6

73.8

0.81

 MMV253

465.58

4.23

2/8

88.2

0.50

 NPC1161B

434.36

4.86

2/4

71.0

0.32

 OZ277

392.54

3.11

2/5

84.4

0.95

 OZ439

469.62

5.44

0/6

49.4

0.79

 P218

360.41

− 0.04

3/8

138

0.39

 SJ733

468.41

3.64

1/4

86.1

0.17

 Tafenoquine

463.50

4.97

2/5

80.3

0.38

 TDD-E209

501.64

6.06

0/6

50.6

0.79

Legacy compounds

 Amodiaquine

355.87

3.80

2/4

49.6

0.25

 Desethylamodiaquine

327.81

2.99

3/4

61.8

0.17

 Artemether

298.38

3.48

0/5

46.2

1.00

 Artesunate

384.43

3.10

1/7

103

0.89

 Atovaquone

366.84

5.00

1/3

57.2

0.27

 Azithromycin

749.00

2.44

5/13

183

0.97

 Chloroquine

319.88

3.93

1/3

30.6

0.50

 Chlorproguanil

288.18

2.99

5/5

87.3

0.27

 Clindamycin

424.98

1.04

4/6

104

0.94

 Dapsone

248.30

1.27

2/4

86.2

0.00

 Dihydroartemisinin

284.35

2.84

1/5

57.2

1.00

 Doxycyclin

444.44

− 3.34

6/9

186

0.41

 Halofantrine

500.43

8.06

1/2

24.7

0.46

 Lumefantrine

528.94

9.19

1/2

24.7

0.33

 Mefloquine

378.32

4.11

2/3

49.7

0.47

 Naphthoquine

409.96

5.22

3/4

61.8

0.38

 Piperaquine

535.52

5.27

0/6

41.2

0.38

 Primaquine

259.35

1.64

2/4

61.8

0.40

 Proguanil

253.73

2.38

5/5

87.3

0.27

 Cycloguanil

251.72

1.70

2/5

81.6

0.27

 Pyrimethamine

248.71

2.75

2/4

79.1

0.17

 Pyronaridine

518.06

4.22

2/7

79.0

0.38

 Quinine

324.42

2.51

1/4

46.8

0.45

 Sulfadoxine

310.33

0.58

2/7

114

0.17

 Sulfamethoxazole

253.28

0.79

2/4

95.4

0.10