Molecule card · MolClass #51672
14732376
14732376: 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
- 14732376Mitochondrial Fusion · compound_name
- MolClass ID
- 51672
- InChIKey
- RVOALKYQPMFCTB-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Oc1ccc(cc1)c2cccc(c2)C(=O)Oc3ccccc3
- Standard InChI
- InChI=1S/C21H16O4/c1-15(22)24-20-12-10-16(11-13-20)17-6-5-7-18(14-17)21(23)25-19-8-3-2-4-9-19/h2-14H,1H3
- Stored Murcko scaffold
- O([CH]c1cccc(c1)-c2ccccc2)c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.249
- 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 · 14732376