Molecule card · MolClass #39350
4252149
4252149: 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
- 4252149Mitochondrial Fusion · compound_name
- MolClass ID
- 39350
- InChIKey
- NWVKMJZFOQNWIC-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)CN3C(=O)C1(OCCO1)c2ccccc23
- Standard InChI
- InChI=1S/C15H17NO4/c1-2-5-11(17)10-16-13-7-4-3-6-12(13)15(14(16)18)19-8-9-20-15/h3-4,6-7H,2,5,8-10H2,1H3
- Stored Murcko scaffold
- [N]1[CH]C2(OCCO2)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.75
- 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 · 4252149