Molecule card · MolClass #36453
14728665
14728665: 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
- 14728665Mitochondrial Fusion · compound_name
- MolClass ID
- 36453
- InChIKey
- JGQGCDRSYLUANL-UKKRHICBSA-N
- Canonical SMILES
- OCCC2CC(O)C(O)C1(CCCCO1)O2
- Standard InChI
- InChI=1S/C11H20O5/c12-5-3-8-7-9(13)10(14)11(16-8)4-1-2-6-15-11/h8-10,12-14H,1-7H2/t8-,9-,10+,11+/m0/s1
- Stored Murcko scaffold
- O1CCCCC12OCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.219
- 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 · 14728665