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TableĀ 2 Molecular descriptors of anti-malarial drugs

From: In silico analysis for factors affecting anti-malarial penetration into red blood cells

DrugRotHBAHBDAli carboAli hetAro carboAro hetSat carbo
Amodiaquine64200210
Arteether25014001
Artemether15014001
Artemisinin05014001
Artesunate47114001
Chloroquine83100110
Dihydroartemisinin05114001
Doxycycline29730101
Mefloquine23201110
Piperaquine66002220
Primaquine64200110
Proguanil22500100
Pyrimethamine23300110
Quinine44103110
Sulfadoxine57200110
  1. Rot, number of rotatable bonds; HBA, number of hydrogen bond acceptors; HBD, number of hydrogen bond donors; AliCarbo, number of aliphatic carbocycles; AliHet, number of aliphatic heterocycles; AroCarbo, number of aromatic carbocycles; AroHet, number of aromatic heterocycles; and SatCarbo, number of saturated carbocycles