Table 11 Binding affinities and ADME/Tox properties of some of the lead molecules and chlorambucil
Molecules | Binding energy (kcalmol−1) | Mw | SASA | donorHB | accptHB | QPlogPo/w |
|---|---|---|---|---|---|---|
22 | −6.327 | 363 | 604 | 0 | 9 | 1.34 |
23 | −7.232 | 504 | 877 | 0 | 12 | 1.92 |
Chlorambucil | −5.826 | 304 | 581 | 1 | 3 | 4.60 |