Molecule card · MolClass #51610
14733577
14733577: 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
- 14733577Mitochondrial Fusion · compound_name
- MolClass ID
- 51610
- InChIKey
- IZKHNPFFNFUQKH-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3ccc(c1ccco1)n3(Cc2cccc(C)c2)
- Standard InChI
- InChI=1S/C18H17NO3/c1-13-5-3-6-14(11-13)12-19-15(17-7-4-10-22-17)8-9-16(19)18(20)21-2/h3-11H,12H2,1-2H3
- Stored Murcko scaffold
- o1cccc1-c2cccn2Cc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.872
- 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 · 14733577