Molecule card · MolClass #48445
4258242
4258242: 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
- 4258242Mitochondrial Fusion · compound_name
- MolClass ID
- 48445
- InChIKey
- SOACZEKLCAOMDI-UHFFFAOYSA-N
- Canonical SMILES
- CCCCOC(=O)C1Cc2ccccc2(C(=O)O1)
- Standard InChI
- InChI=1S/C14H16O4/c1-2-3-8-17-14(16)12-9-10-6-4-5-7-11(10)13(15)18-12/h4-7,12H,2-3,8-9H2,1H3
- Stored Murcko scaffold
- O1[CH]c2ccccc2CC1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.96
- 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 · 4258242