Molecule card · MolClass #38222
17386341
17386341: 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
- 17386341Mitochondrial Fusion · compound_name
- MolClass ID
- 38222
- InChIKey
- ZVENEJWFSHUFTD-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1=CC(C(=O)OCC)=C2C=CC=C(C)N2(C1(=O))
- Standard InChI
- InChI=1S/C16H17NO5/c1-4-21-15(19)11-9-12(16(20)22-5-2)14(18)17-10(3)7-6-8-13(11)17/h6-9H,4-5H2,1-3H3
- Stored Murcko scaffold
- C1=C[CH]N2C=CC=CC2=C1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.232
- 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 · 17386341