Molecule card · MolClass #36617
24817782
24817782: 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
- 24817782Mitochondrial Fusion · compound_name
- MolClass ID
- 36617
- InChIKey
- QUAFNZAMXOKKLG-UKTHLTGXSA-N
- Canonical SMILES
- CC(C)(C)C(=O)ON=C2CCS(=O)(=O)c1c2(ccs1)
- Standard InChI
- InChI=1S/C12H15NO4S2/c1-12(2,3)11(14)17-13-9-5-7-19(15,16)10-8(9)4-6-18-10/h4,6H,5,7H2,1-3H3/b13-9+
- Stored Murcko scaffold
- s1ccc2[CH]CCSc12
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.
- 24819943#26972
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.643
- 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.
Mitochondrial Fusion
Dataset #19 · 24817782