Molecule card · MolClass #26666
24818991
24818991: 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
- 24818991Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 26666
- InChIKey
- UYDVSRSVBRFNCK-NTUHNPAUSA-N
- Canonical SMILES
- ON=CC=2CCc1ccccc1C=2Cl
- Standard InChI
- InChI=1S/C11H10ClNO/c12-11-9(7-13-14)6-5-8-3-1-2-4-10(8)11/h1-4,7,14H,5-6H2/b13-7+
- Stored Murcko scaffold
- c1ccc2c(c1)C=CCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 207.657 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.878
- 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 · 24818991