Molecule card · MolClass #32289
3713060
3713060: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 3713060Antifungal Pump Inhibitors · compound_name3713060Mitochondrial Fusion · compound_name
- MolClass ID
- 32289
- InChIKey
- SBLYSFKKDRQLIT-UHFFFAOYSA-N
- Canonical SMILES
- CC=1CN(S(=O)CC=1(C))S(=O)(=O)c2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C12H14ClNO3S2/c1-9-7-14(18(15)8-10(9)2)19(16,17)12-5-3-11(13)4-6-12/h3-6H,7-8H2,1-2H3
- Stored Murcko scaffold
- S(c1ccccc1)N2SCC=CC2
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.
No other molecules currently have this stored 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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.83 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.345
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 3713060
Mitochondrial Fusion
Dataset #19 · 3713060