Molecule card · MolClass #27918
24783142
24783142: 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
- 24783142Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 27918
- InChIKey
- SNZUAMJDPKNTCJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc3NS(=O)C4C1CCC(C1)C4(c3(c2))
- Standard InChI
- InChI=1S/C14H17NOS/c1-8-2-5-12-11(6-8)13-9-3-4-10(7-9)14(13)17(16)15-12/h2,5-6,9-10,13-15H,3-4,7H2,1H3
- Stored Murcko scaffold
- S1Nc2ccccc2C3C1C4CCC3C4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.745
- 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 · 24783142