Molecule card · MolClass #36964
857877
857877: 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
- 857877Mitochondrial Fusion · compound_name
- MolClass ID
- 36964
- InChIKey
- FEOQRAMWJJLXDP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C2CC(=O)n1c3ccccc3(nc1S2)
- Standard InChI
- InChI=1S/C11H8N2O3S/c14-9-5-8(10(15)16)17-11-12-6-3-1-2-4-7(6)13(9)11/h1-4,8H,5H2,(H,15,16)
- Stored Murcko scaffold
- n1c2ccccc2n3[CH]CCSc13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.656
- 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 · 857877