Molecule card · MolClass #44044
24822949
24822949: 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
- 24822949Mitochondrial Fusion · compound_name
- MolClass ID
- 44044
- InChIKey
- GNVCPNYFESCSMN-UHFFFAOYSA-N
- Canonical SMILES
- COCCCNC(=O)CSc1ccsc1[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H14N2O4S2/c1-16-5-2-4-11-9(13)7-18-8-3-6-17-10(8)12(14)15/h3,6H,2,4-5,7H2,1H3,(H,11,13)
- 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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 135.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.118
- 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 · 24822949