Molecule card · MolClass #31384
14724166
14724166: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14724166Antifungal Pump Inhibitors · compound_name14724166Mitochondrial Fusion · compound_name
- MolClass ID
- 31384
- InChIKey
- FJEAFXBWPULTGO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1c(C)cc(C)n2c3ccccc3(nc12)
- Standard InChI
- InChI=1S/C16H16N2O2/c1-4-20-16(19)14-10(2)9-11(3)18-13-8-6-5-7-12(13)17-15(14)18/h5-9H,4H2,1-3H3
- Stored Murcko scaffold
- n1c2ccccc2n3ccccc13
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.399
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Antifungal Pump Inhibitors
Dataset #18 · 14724166
Mitochondrial Fusion
Dataset #19 · 14724166