Molecule card · MolClass #37269
4256926
4256926: 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
- 4256926Mitochondrial Fusion · compound_name
- MolClass ID
- 37269
- InChIKey
- NYTMEKPUZDMWPK-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCC(=O)NCC2OCCc1ccccc12
- Standard InChI
- InChI=1S/C14H17NO4/c16-13(5-6-14(17)18)15-9-12-11-4-2-1-3-10(11)7-8-19-12/h1-4,12H,5-9H2,(H,15,16)(H,17,18)
- Stored Murcko scaffold
- O1Cc2ccccc2CC1
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
- 75.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.549
- 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 · 4256926