Table 4. Drug-likeness (Lipinski rule of five) for XL765 and the six proposed dual inhibitors 28, 18, 38, 9, 10, and 19.
Lipinski rule of five | ||||||||
---|---|---|---|---|---|---|---|---|
Property | Desired value | XL765 | 28 | 18 | 38 | 9 | 10 | 19 |
Mol Wt. | <500 | 599.67 | 497.53 | 473.49 | 690.42 | 501.55 | 493.55 | 491.58 |
H-Bond Donors | <5 | 3 | 2 | 4 | 3 | 2 | 4 | 4 |
H-Bond Acceptors | <10 | 9 | 7 | 8 | 8 | 8 | 9 | 9 |
Rotatable Bonds | <10 | 10 | 6 | 6 | 7 | 8 | 6 | 6 |
Lipophilicity (LogP) | <5 | 5.76 | 4.29 | 3.53 | 4.73 | 4.14 | 3.42 | 3.18 |