Molecule card · MolClass #46257
14740693
14740693: 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
- 14740693Mitochondrial Fusion · compound_name
- MolClass ID
- 46257
- InChIKey
- RHQCCEHGFGFOFZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)NCN2C(=O)CCC2(=O)
- Standard InChI
- InChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)13-8-14-11(15)6-7-12(14)16/h2-5,13H,6-8H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)NCN2[CH]CC[CH]2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.682
- 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 · 14740693