Molecule card · MolClass #35367
7974131
7974131: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7974131Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 35367
- InChIKey
- FONFTLOPBJYBRD-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccccc1n3c(O)c(CC(=O)O)cc23
- Standard InChI
- InChI=1S/C14H12N2O3/c1-8-12-6-9(7-13(17)18)14(19)16(12)11-5-3-2-4-10(11)15-8/h2-6,19H,7H2,1H3,(H,17,18)
- Stored Murcko scaffold
- n1cc2cccn2c3ccccc13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.405
- 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 · 7974131