Molecule card · MolClass #48372
24792832
24792832: 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
- 24792832Mitochondrial Fusion · compound_name
- MolClass ID
- 48372
- InChIKey
- OACZNBYRQPECEM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(s1)S(=O)(=O)N2CCCCC2(C(=O)O)
- Standard InChI
- InChI=1S/C11H15NO4S2/c1-8-5-6-10(17-8)18(15,16)12-7-3-2-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)
- Stored Murcko scaffold
- s1cccc1SN2CCCCC2
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.
- 22400439#34939
- 16953613#46980
- Brc1sc(cc1Br)S(=O)(=O)N1CCCCC1#154862
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.372
- 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 · 24792832