Molecule card · MolClass #46469
859236
859236: 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
- 859236Mitochondrial Fusion · compound_name
- MolClass ID
- 46469
- InChIKey
- LTIQCYGRJHYLTM-LUAWRHEFSA-N
- Canonical SMILES
- CC(C)Cc1ccc(C(=NO)C(=O)O)s1
- Standard InChI
- InChI=1S/C10H13NO3S/c1-6(2)5-7-3-4-8(15-7)9(11-14)10(12)13/h3-4,6,14H,5H2,1-2H3,(H,12,13)/b11-9-
- Stored Murcko scaffold
- s1cccc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.429
- 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 · 859236