Molecule card · MolClass #46124
17402143
17402143: 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
- 17402143Mitochondrial Fusion · compound_name
- MolClass ID
- 46124
- InChIKey
- ZMLGTBXPTCYDHJ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C(C)Oc1ccsc1(C(=O)OC)
- Standard InChI
- InChI=1S/C11H14O5S/c1-4-15-10(12)7(2)16-8-5-6-17-9(8)11(13)14-3/h5-7H,4H2,1-3H3
- 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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.912
- 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 · 17402143