Molecule card · MolClass #49124
24824274
24824274: 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
- 24824274Mitochondrial Fusion · compound_name
- MolClass ID
- 49124
- InChIKey
- KUGMSYFFXZDRGR-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(ccc1(OC(C)=O))C(=O)OC2CC3CCC2(C)C3(C)(C)
- Standard InChI
- InChI=1S/C20H26O5/c1-12(21)24-15-7-6-13(10-16(15)23-5)18(22)25-17-11-14-8-9-20(17,4)19(14,2)3/h6-7,10,14,17H,8-9,11H2,1-5H3
- Stored Murcko scaffold
- O([CH]c1ccccc1)C2CC3CCC2C3
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.
- 24824156#49123
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.623
- 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 · 24824274