Molecule card · MolClass #44348
24787515
24787515: 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
- 24787515Mitochondrial Fusion · compound_name
- MolClass ID
- 44348
- InChIKey
- AVVVNWKITWUWBF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2C(=O)OC(C)(C)C2(C(CC)C(=O)c1ccccc1)
- Standard InChI
- InChI=1S/C19H24O5/c1-5-13(16(20)12-10-8-7-9-11-12)15-14(17(21)23-6-2)18(22)24-19(15,3)4/h7-11,13-15H,5-6H2,1-4H3
- Stored Murcko scaffold
- O1[CH]CC(C1)C[CH]c2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.257
- 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 · 24787515