Molecule card · MolClass #47538
24782602
24782602: 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
- 24782602Mitochondrial Fusion · compound_name
- MolClass ID
- 47538
- InChIKey
- BACNNWMGTLOPDC-UHFFFAOYSA-N
- Canonical SMILES
- CCCS(=O)(=O)N1CCCC(C1)C(=O)c2ccccc2(OC)
- Standard InChI
- InChI=1S/C16H23NO4S/c1-3-11-22(19,20)17-10-6-7-13(12-17)16(18)14-8-4-5-9-15(14)21-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C2CNCCC2
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.
- 24790479#47521
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.183
- 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 · 24782602