Molecule card · MolClass #23516
ZINC00445762
ZINC00445762: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- ZINC00445762Metabolite Likeness · compound_name7978369Mitochondrial Fusion · compound_name
- MolClass ID
- 23516
- InChIKey
- QRYNWYNTSUWUDO-UHFFFAOYSA-N
- Canonical SMILES
- CCON3C(=O)C(=O)N(OCc1ccccc1)c2ccccc23
- Standard InChI
- InChI=1S/C17H16N2O4/c1-2-22-18-14-10-6-7-11-15(14)19(17(21)16(18)20)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
- Stored Murcko scaffold
- [N]1[CH][CH]N(OCc2ccccc2)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.
- 866011#29199
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.237
- 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.
Metabolite Likeness
Dataset #15 · ZINC00445762
Mitochondrial Fusion
Dataset #19 · 7978369