Molecule card · MolClass #44512
4264946
4264946: 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
- 4264946Mitochondrial Fusion · compound_name
- MolClass ID
- 44512
- InChIKey
- WFEFTPWEVLUTLS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccccc1)C2CCc3occc3(C2(=O))
- Standard InChI
- InChI=1S/C15H12O3/c16-14(10-4-2-1-3-5-10)12-6-7-13-11(15(12)17)8-9-18-13/h1-5,8-9,12H,6-7H2
- Stored Murcko scaffold
- o1ccc2[CH]C([CH]c3ccccc3)CCc12
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 47.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.002
- 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 · 4264946