Molecule card · MolClass #38681
849685
849685: 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
- 849685Mitochondrial Fusion · compound_name
- MolClass ID
- 38681
- InChIKey
- QMEPDSFNMOSZLK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2OC(=CC(=O)c2(c1))NC(=O)N3CCOCC3
- Standard InChI
- InChI=1S/C15H16N2O4/c1-10-2-3-13-11(8-10)12(18)9-14(21-13)16-15(19)17-4-6-20-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,16,19)
- Stored Murcko scaffold
- O1C(=C[CH]c2ccccc12)N[CH]N3CCOCC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 67.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.244
- 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 · 849685