Molecule card · MolClass #50279
17516938
17516938: 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
- 17516938Mitochondrial Fusion · compound_name
- MolClass ID
- 50279
- InChIKey
- JGEZLHRFHXKKTK-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(=O)Nc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C16H16Cl2N2O3S/c1-10(2)16(21)19-15-9-13(7-8-14(15)18)24(22,23)20-12-5-3-11(17)4-6-12/h3-10,20H,1-2H3,(H,19,21)
- Stored Murcko scaffold
- S(Nc1ccccc1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 387.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.759
- 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 · 17516938