Molecule card · MolClass #37956
24806260
24806260: 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
- 24806260Mitochondrial Fusion · compound_name
- MolClass ID
- 37956
- InChIKey
- WNXLLQUPJSNZMI-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C1C(=O)c2c(C)noc2(CC1(C)(C))
- Standard InChI
- InChI=1S/C12H15NO4/c1-6-8-7(17-13-6)5-12(2,3)9(10(8)14)11(15)16-4/h9H,5H2,1-4H3
- Stored Murcko scaffold
- n1oc2c(c1)[CH]CCC2
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.
- 7975226#28487
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.674
- 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 · 24806260