Molecule card · MolClass #27911
26662672
26662672: 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
- 26662672Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 27911
- InChIKey
- YYBFSCFEAVLXTB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3c1c(C)ccc(C)c1sc3(c(C)n2)
- Standard InChI
- InChI=1S/C15H15NS/c1-8-5-6-9(2)14-13(8)12-7-10(3)16-11(4)15(12)17-14/h5-7H,1-4H3
- Stored Murcko scaffold
- n1ccc2c(sc3ccccc32)c1
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.176
- 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 · 26662672