LogP is a principal determinant of antitumor and antibacterial activity in 18-crown-6 ethers - QSAR dataset

This QSAR data set includes 25 chemical compounds with measured <em>in vitro</em> biological activity against three human cancer cell lines: SW620 (colon), MCF-7 (breast) and H460 (lung). In addition to the antitumor effects, we measured differential bacteriostatic activity against <em>Bacillus subtilis</em>. (in contrast, <em>Escherichia coli</em> was almost fully resistant to all tested molecules in our experiments). All compounds are crown ethers, derivatives of 18-crown-6 (including oxa and aza-crowns), frequently carrying adamantane or other hydrophobic substituents. 18-C-6 are known to shuttle potassium ions across biological membranes. The molecular descriptors were computed using the E-Dragon online service.