Molecule card · MolClass #32379

26658749

26658749: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 26658749Antifungal Pump Inhibitors · compound_name
MolClass ID: 32379
InChIKey: AZMVALHWGLKTBX-UHFFFAOYSA-N
Canonical SMILES: CCCC(O)(CCC)C(=O)NNc1ccc(C)cc1
Standard InChI: InChI=1S/C15H24N2O2/c1-4-10-15(19,11-5-2)14(18)17-16-13-8-6-12(3)7-9-13/h6-9,16,19H,4-5,10-11H2,1-3H3,(H,17,18)
Stored Murcko scaffold: c1ccccc1

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.36 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 264.364 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.971; CDK 2.12 · 2026-08-19

Saved model predictions

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Antifungal Pump Inhibitors
Dataset #18 · 26658749