Molecule card · MolClass #27357
87342030
87342030: 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
- 87342030Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 27357
- InChIKey
- ORQDZCWZTKPKJV-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=NS(=O)(=O)N1)c2ccccc2
- Standard InChI
- InChI=1S/C10H10N2O2S/c1-8-7-10(12-15(13,14)11-8)9-5-3-2-4-6-9/h2-7,11H,1H3
- Stored Murcko scaffold
- N=1SNC=CC1c2ccccc2
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
- 4
- 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
- 66.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 222.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.574
- 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 · 87342030