Molecule card · MolClass #30384
17411245
17411245: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17411245Antifungal Pump Inhibitors · compound_name17411245Mitochondrial Fusion · compound_name
- MolClass ID
- 30384
- InChIKey
- JFZLTSZKHXCPCB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnsc1SC(C)C(=O)O
- Standard InChI
- InChI=1S/C6H8N2O2S2/c1-3-6(12-8-7-3)11-4(2)5(9)10/h4H,1-2H3,(H,9,10)
- Stored Murcko scaffold
- n1nccs1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.738
- 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 · 17411245
Mitochondrial Fusion
Dataset #19 · 17411245