Molecule card · MolClass #36463
14728663
14728663: 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
- 14728663Mitochondrial Fusion · compound_name
- MolClass ID
- 36463
- InChIKey
- QFIGEICYFVBHEQ-APLZJWDSSA-N
- Canonical SMILES
- CC1CCC2(O1)(OC(CCO)CC(O)C2(O))
- Standard InChI
- InChI=1S/C11H20O5/c1-7-2-4-11(15-7)10(14)9(13)6-8(16-11)3-5-12/h7-10,12-14H,2-6H2,1H3/t7-,8-,9-,10+,11+/m1/s1
- Stored Murcko scaffold
- O1CCCCC12OCCC2
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.
- 24708224#26154
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
- -0.117
- 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 · 14728663