Molecule card · MolClass #36383
24818653
24818653: 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
- 24818653Mitochondrial Fusion · compound_name
- MolClass ID
- 36383
- InChIKey
- QMJFKWYJHITIEW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(=O)OC2CCS(=O)(=O)c1c2(ccs1)
- Standard InChI
- InChI=1S/C11H14O4S2/c1-7(2)10(12)15-9-4-6-17(13,14)11-8(9)3-5-16-11/h3,5,7,9H,4,6H2,1-2H3
- Stored Murcko scaffold
- s1ccc2c1SCCC2
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.417
- 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 · 24818653