Molecule card · MolClass #46121
24794016
24794016: 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
- 24794016Mitochondrial Fusion · compound_name
- MolClass ID
- 46121
- InChIKey
- NNLNFQOFXJNSPY-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2=NC(CO)(CO)CO2
- Standard InChI
- InChI=1S/C12H15NO4/c1-16-10-4-2-9(3-5-10)11-13-12(6-14,7-15)8-17-11/h2-5,14-15H,6-8H2,1H3
- Stored Murcko scaffold
- N1=C(OCC1)c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.243
- 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 · 24794016