Molecule card · MolClass #39930
4248001
4248001: 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
- 4248001Mitochondrial Fusion · compound_name
- MolClass ID
- 39930
- InChIKey
- FMNMTGIZLUSFMV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CN3c1ccccc1C2(OCCCO2)C3(=O)
- Standard InChI
- InChI=1S/C13H13NO5/c15-11(16)8-14-10-5-2-1-4-9(10)13(12(14)17)18-6-3-7-19-13/h1-2,4-5H,3,6-8H2,(H,15,16)
- Stored Murcko scaffold
- [N]1[CH]C2(OCCCO2)c3ccccc13
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.145
- 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 · 4248001