Molecule card · MolClass #41140
4257209
4257209: 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
- 4257209Mitochondrial Fusion · compound_name
- MolClass ID
- 41140
- InChIKey
- QQLNTDONMSVEFG-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Oc1cc3c(coc3(c2ccccc12))C(C)=O
- Standard InChI
- InChI=1S/C16H12O4/c1-9(17)14-8-19-16-12-6-4-3-5-11(12)15(7-13(14)16)20-10(2)18/h3-8H,1-2H3
- Stored Murcko scaffold
- o1ccc2ccc3ccccc3c12
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.
- 14733984#29338
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.911
- 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 · 4257209