Molecule card · MolClass #47921
860569
860569: 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
- 860569Mitochondrial Fusion · compound_name
- MolClass ID
- 47921
- InChIKey
- LDZSYQOAPFHKLC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC(C(=O)OCC1CCCO1)N2CCOCC2
- Standard InChI
- InChI=1S/C13H21NO6/c15-12(16)8-11(14-3-6-18-7-4-14)13(17)20-9-10-2-1-5-19-10/h10-11H,1-9H2,(H,15,16)
- Stored Murcko scaffold
- O([CH]CN1CCOCC1)CC2OCCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.638
- 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 · 860569