Molecule card · MolClass #36384
24807951
24807951: 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
- 24807951Mitochondrial Fusion · compound_name
- MolClass ID
- 36384
- InChIKey
- JOPZGFLVJQSJLC-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(COC3(OC1)(C(=O)Nc2ccccc23))
- Standard InChI
- InChI=1S/C13H15NO3/c1-12(2)7-16-13(17-8-12)9-5-3-4-6-10(9)14-11(13)15/h3-6H,7-8H2,1-2H3,(H,14,15)
- Stored Murcko scaffold
- O1CCCOC12[CH]Nc3ccccc32
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.189
- 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 · 24807951