Molecule card · MolClass #40849
7973392
7973392: 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
- 7973392Mitochondrial Fusion · compound_name
- MolClass ID
- 40849
- InChIKey
- AXYZXOJHVZWKRJ-UHFFFAOYSA-N
- Canonical SMILES
- OCCN(CCO)C2=CC(=O)OC12(CCCCC1)
- Standard InChI
- InChI=1S/C13H21NO4/c15-8-6-14(7-9-16)11-10-12(17)18-13(11)4-2-1-3-5-13/h10,15-16H,1-9H2
- Stored Murcko scaffold
- O1[CH]C=CC12CCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.672
- 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 · 7973392