Molecule card · MolClass #46532
7976485
7976485: 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
- 7976485Mitochondrial Fusion · compound_name
- MolClass ID
- 46532
- InChIKey
- APNJKCIWFNJLTA-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)c1ccc(s1)S(=O)(=O)CC
- Standard InChI
- InChI=1S/C8H12O4S3/c1-3-14(9,10)7-5-6-8(13-7)15(11,12)4-2/h5-6H,3-4H2,1-2H3
- Stored Murcko scaffold
- s1cccc1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.467
- 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 · 7976485