Molecule card · MolClass #38998
24834948
24834948: 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
- 24834948Mitochondrial Fusion · compound_name
- MolClass ID
- 38998
- InChIKey
- ZIZJPORRLBDXKM-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c1c(C)c(C(=O)OC)sc1S(=O)(=O)NC(C)C(=O)O
- Standard InChI
- InChI=1S/C12H15NO8S2/c1-5-7(10(16)20-3)12(22-8(5)11(17)21-4)23(18,19)13-6(2)9(14)15/h6,13H,1-4H3,(H,14,15)
- 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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 172.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.729
- 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 · 24834948