Molecule card · MolClass #42120
24841598
24841598: 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
- 24841598Mitochondrial Fusion · compound_name
- MolClass ID
- 42120
- InChIKey
- UDMWYVVKFMJMHO-PTRXPTGYSA-N
- Canonical SMILES
- CCOC1OC(=CC(C)C1(CCCO))C(N)=O
- Standard InChI
- InChI=1S/C12H21NO4/c1-3-16-12-9(5-4-6-14)8(2)7-10(17-12)11(13)15/h7-9,12,14H,3-6H2,1-2H3,(H2,13,15)/t8-,9+,12+/m1/s1
- Stored Murcko scaffold
- O1C=CCCC1
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.807
- 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 · 24841598