Molecule card · MolClass #39355
7976194
7976194: 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
- 7976194Mitochondrial Fusion · compound_name
- MolClass ID
- 39355
- InChIKey
- AKRXFMFKOIECJQ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C1C(C(C)C)N(OC1(C)(O))c2ccccc2
- Standard InChI
- InChI=1S/C15H21NO4/c1-10(2)13-12(14(17)19-4)15(3,18)20-16(13)11-8-6-5-7-9-11/h5-10,12-13,18H,1-4H3
- Stored Murcko scaffold
- O1N(c2ccccc2)CCC1
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
- 3
- 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
- 59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.512
- 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 · 7976194