Molecule card · MolClass #46298
17512847
17512847: 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
- 17512847Mitochondrial Fusion · compound_name
- MolClass ID
- 46298
- InChIKey
- ZROLXFWUWWUQNO-UHFFFAOYSA-N
- Canonical SMILES
- CON2C(=O)C(=O)N(OC)C1CCCCCC12
- Standard InChI
- InChI=1S/C11H18N2O4/c1-16-12-8-6-4-3-5-7-9(8)13(17-2)11(15)10(12)14/h8-9H,3-7H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH][CH][N]C2CCCCCC12
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.649
- 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 · 17512847