Molecule card · MolClass #44098
24819039
24819039: 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
- 24819039Mitochondrial Fusion · compound_name
- MolClass ID
- 44098
- InChIKey
- NZONWRGGRSQSHI-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C(Cc1ccccc1)N2CCS(=O)(=O)CC2
- Standard InChI
- InChI=1S/C14H19NO4S/c1-19-14(16)13(11-12-5-3-2-4-6-12)15-7-9-20(17,18)10-8-15/h2-6,13H,7-11H2,1H3
- Stored Murcko scaffold
- S1CCN(CC1)CCc2ccccc2
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.
- 24820593#42226
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.372 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.277
- 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 · 24819039