Molecule card · MolClass #36626
7974957
7974957: 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
- 7974957Mitochondrial Fusion · compound_name
- MolClass ID
- 36626
- InChIKey
- XQPYFQDHBGUIBQ-UHFFFAOYSA-N
- Canonical SMILES
- CC3=CCC2(CO)(COC(c1ccccc1(O))C3(C2))
- Standard InChI
- InChI=1S/C16H20O3/c1-11-6-7-16(9-17)8-13(11)15(19-10-16)12-4-2-3-5-14(12)18/h2-6,13,15,17-18H,7-10H2,1H3
- Stored Murcko scaffold
- O1CC2CC=CC(C2)C1c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.919
- 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 · 7974957