Molecule card · MolClass #46137
24821058
24821058: 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
- 24821058Mitochondrial Fusion · compound_name
- MolClass ID
- 46137
- InChIKey
- YEOVHBMFJDSYMK-UHFFFAOYSA-N
- Canonical SMILES
- OCC(c1ccccc1)N2CCS(=O)(=O)CC2
- Standard InChI
- InChI=1S/C12H17NO3S/c14-10-12(11-4-2-1-3-5-11)13-6-8-17(15,16)9-7-13/h1-5,12,14H,6-10H2
- Stored Murcko scaffold
- S1CCN(Cc2ccccc2)CC1
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.
- 24821916#47464
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.707
- 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 · 24821058