Molecule card · MolClass #37031
14734027
14734027: 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
- 14734027Mitochondrial Fusion · compound_name
- MolClass ID
- 37031
- InChIKey
- HBNYMWXXUGEESV-SQFISAMPSA-N
- Canonical SMILES
- CC=2C(=O)C=CC(=NOS(=O)(=O)c1ccccc1)C=2(C)
- Standard InChI
- InChI=1S/C14H13NO4S/c1-10-11(2)14(16)9-8-13(10)15-19-20(17,18)12-6-4-3-5-7-12/h3-9H,1-2H3/b15-13-
- Stored Murcko scaffold
- N(OSc1ccccc1)=C2C=C[CH]C=C2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.515
- 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 · 14734027