Molecule card · MolClass #51303
17386251
17386251: 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
- 17386251Mitochondrial Fusion · compound_name
- MolClass ID
- 51303
- InChIKey
- NZWOAQFEJQOJST-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(NC(=O)CC(C)C)=S
- Standard InChI
- InChI=1S/C20H25N3O4S2/c1-4-27-17-9-5-16(6-10-17)23-29(25,26)18-11-7-15(8-12-18)21-20(28)22-19(24)13-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H2,21,22,24,28)
- 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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 137 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.563 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.089
- 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 · 17386251