Molecule card · MolClass #44438
4262284
4262284: 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
- 4262284Mitochondrial Fusion · compound_name
- MolClass ID
- 44438
- InChIKey
- CDFHGLJGARKHCF-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cc1c(ncnc1s2)SCC(=O)O
- Standard InChI
- InChI=1S/C10H10N2O2S2/c1-2-6-3-7-9(15-4-8(13)14)11-5-12-10(7)16-6/h3,5H,2,4H2,1H3,(H,13,14)
- Stored Murcko scaffold
- n1cnc2sccc2c1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.645
- 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 · 4262284