Molecule card · MolClass #43265
4258392
4258392: 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
- 4258392Mitochondrial Fusion · compound_name
- MolClass ID
- 43265
- InChIKey
- MTTAPKOPHIYEFH-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)Cc1csc(n1)NS(=O)(=O)Cc2ccccc2
- Standard InChI
- InChI=1S/C14H16N2O4S2/c1-2-20-13(17)8-12-9-21-14(15-12)16-22(18,19)10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,15,16)
- Stored Murcko scaffold
- n1ccsc1NSCc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 121.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.421 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.774
- 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 · 4258392