Molecule card · MolClass #42393
24818067
24818067: 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
- 24818067Mitochondrial Fusion · compound_name
- MolClass ID
- 42393
- InChIKey
- NJCSDSCOEVVWPF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(c(O)n1)S(=O)(=O)Cc2ccccc2
- Standard InChI
- InChI=1S/C14H15NO3S/c1-10-8-11(2)15-14(16)13(10)19(17,18)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,16)
- Stored Murcko scaffold
- n1cccc(SCc2ccccc2)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.
- 24819884#44172
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.457
- 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 · 24818067