Table 2.
Drug Like Properties of the Eight Malaria Box Compounds
| Malaria Box Compound | Ro5_Violation Count | N Plus O_Count | Molecular Weight | Num_H_Donors | ALogP |
|---|---|---|---|---|---|
| 1. MMV000662 | 0 | 5 | 434.55054 | 1 | 4.427 |
| 2. MMV006429 | 0 | 6 | 409.50132 | 1 | 3.582 |
| 3. MMV000642 | 1 | 5 | 468.9956 | 1 | 5.092 |
| 4. MMV019266 | 0 | 4 | 312.41258 | 1 | 4.458 |
| 5. MMV665876 | 0 | 4 | 326.43915 | 0 | 4.285 |
| 6. MMV006767 | 0 | 6 | 323.34587 | 2 | 2.56 |
| 7. MMV085583 | 2 | 6 | 592.6479 | 1 | 7.336 |
| 8. MMV665827 | 0 | 5 | 346.39592 | 0 | 3.364 |
Notes: Ro5_Violation Count = Violation of Lipinski’s Rule of 5; eg 1=1 violation of Lipinski’s rule; N plus O Count = Sum of Nitrogen and Oxygen atoms; Num_H_Donors = Sum of hydrogen-bond donors in the molecule; ALogP = Calculated partition coefficient.