Molecule card · MolClass #30923
7976968
7976968: 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
- 7976968Antifungal Pump Inhibitors · compound_name7976968Mitochondrial Fusion · compound_name
- MolClass ID
- 30923
- InChIKey
- DZNZGIVDYHUEMK-UHFFFAOYSA-N
- Canonical SMILES
- Oc1cc(O)nc(n1)SCC(=O)C2CC2
- Standard InChI
- InChI=1S/C9H10N2O3S/c12-6(5-1-2-5)4-15-9-10-7(13)3-8(14)11-9/h3,5H,1-2,4H2,(H2,10,11,13,14)
- Stored Murcko scaffold
- n1cccnc1SC[CH]C2CC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.254 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.792
- 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 · 7976968
Mitochondrial Fusion
Dataset #19 · 7976968