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Table 11 Binding affinities and ADME/Tox properties of some of the lead molecules and chlorambucil

From: Predicting the bioactivity of 2-alkoxycarbonylallyl esters as potential antiproliferative agents against pancreatic cancer (MiaPaCa-2) cell lines: GFA-based QSAR and ELM-based models with molecular docking

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