Molecule card · MolClass #41951
24808301
24808301: 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
- 24808301Mitochondrial Fusion · compound_name
- MolClass ID
- 41951
- InChIKey
- OHVCJESXVHLJLK-UHFFFAOYSA-N
- Canonical SMILES
- OCC1(CO)(COC(=N1)c2ccccc2)
- Standard InChI
- InChI=1S/C11H13NO3/c13-6-11(7-14)8-15-10(12-11)9-4-2-1-3-5-9/h1-5,13-14H,6-8H2
- 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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 207.226 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.328
- 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 · 24808301