Molecule card · MolClass #35886
4263504
4263504: 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
- 4263504Mitochondrial Fusion · compound_name
- MolClass ID
- 35886
- InChIKey
- QGYCBFBDEJEBLL-UHFFFAOYSA-N
- Canonical SMILES
- CC2CC4(C)(Oc1ccccc1C3OCC2(CO)C(C)C34)
- Standard InChI
- InChI=1S/C18H24O3/c1-11-8-17(3)15-12(2)18(11,9-19)10-20-16(15)13-6-4-5-7-14(13)21-17/h4-7,11-12,15-16,19H,8-10H2,1-3H3
- Stored Murcko scaffold
- O1c2ccccc2C3OCC4CCC1C3C4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.389
- 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 · 4263504