Molecule card · MolClass #42322
24824678
24824678: 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
- 24824678Mitochondrial Fusion · compound_name
- MolClass ID
- 42322
- InChIKey
- OEEJZUYVHDKJBI-BQYQJAHWSA-N
- Canonical SMILES
- C=CCOC(=O)C(=O)C=Cc1csc2ccccc12
- Standard InChI
- InChI=1S/C15H12O3S/c1-2-9-18-15(17)13(16)8-7-11-10-19-14-6-4-3-5-12(11)14/h2-8,10H,1,9H2/b8-7+
- Stored Murcko scaffold
- s1ccc2ccccc12
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.
View all molecules with this scaffold →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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.152
- 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 · 24824678