Molecule card · MolClass #45957
14733162
14733162: 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
- 14733162Mitochondrial Fusion · compound_name
- MolClass ID
- 45957
- InChIKey
- KOUQLYYRYBEHLJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1S(=O)(=O)Cc2ccc(o2)C(=O)O
- Standard InChI
- InChI=1S/C13H12O5S/c1-9-4-2-3-5-12(9)19(16,17)8-10-6-7-11(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
- Stored Murcko scaffold
- o1cccc1CSc2ccccc2
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.
- ZINC11951914#23549
- 49668508#34199
- 4249782#47372
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.539
- 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 · 14733162