Molecule card · MolClass #43446
14731659
14731659: 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
- 14731659Mitochondrial Fusion · compound_name
- MolClass ID
- 43446
- InChIKey
- DURFIQKSHZOMGO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)C2CS(=O)(=O)CC2(O)
- Standard InChI
- InChI=1S/C11H14O5S2/c1-8-2-4-9(5-3-8)18(15,16)11-7-17(13,14)6-10(11)12/h2-5,10-12H,6-7H2,1H3
- Stored Murcko scaffold
- S1CCC(Sc2ccccc2)C1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.515
- 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 · 14731659