Molecule card · MolClass #37668
14732053
14732053: 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
- 14732053Mitochondrial Fusion · compound_name
- MolClass ID
- 37668
- InChIKey
- AIOHQVRYRUWFNJ-UHFFFAOYSA-N
- Canonical SMILES
- CCNC(=O)c1oc2CC(C)(C)CC(=O)c2(c1(C))
- Standard InChI
- InChI=1S/C14H19NO3/c1-5-15-13(17)12-8(2)11-9(16)6-14(3,4)7-10(11)18-12/h5-7H2,1-4H3,(H,15,17)
- Stored Murcko scaffold
- o1ccc2[CH]CCCc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.997
- 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 · 14732053