Molecule card · MolClass #38260
24818990
24818990: 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
- 24818990Mitochondrial Fusion · compound_name
- MolClass ID
- 38260
- InChIKey
- LTQWDVIQLOGLAW-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)c1ccc2OC(CCCl)C(=O)Nc2(c1)
- Standard InChI
- InChI=1S/C12H14ClNO4S/c1-2-19(16,17)8-3-4-10-9(7-8)14-12(15)11(18-10)5-6-13/h3-4,7,11H,2,5-6H2,1H3,(H,14,15)
- Stored Murcko scaffold
- O1c2ccccc2N[CH]C1
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.
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
- 80.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.763 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.758
- 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 · 24818990