Molecule card · MolClass #36033
14728507
14728507: 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
- 14728507Mitochondrial Fusion · compound_name
- MolClass ID
- 36033
- InChIKey
- ZNKRNBMMTYREOQ-KKJSVHSVSA-N
- Canonical SMILES
- CC1CCCC2(O1)(OC(CCO)CC(O)C2(O))
- Standard InChI
- InChI=1S/C12H22O5/c1-8-3-2-5-12(16-8)11(15)10(14)7-9(17-12)4-6-13/h8-11,13-15H,2-7H2,1H3/t8-,9-,10-,11+,12+/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
- 246.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.241
- 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 · 14728507