Molecule card · MolClass #26856
4249954
4249954: 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
- 4249954Antifungal Pump Inhibitors · compound_name4249954Mitochondrial Fusion · compound_name
- MolClass ID
- 26856
- InChIKey
- FHHPCSYCWCIXAO-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C1=NSC(=O)O1)c(s2)S(C)(=O)=O
- Standard InChI
- InChI=1S/C8H7NO4S3/c1-4-3-5(6-9-15-8(10)13-6)7(14-4)16(2,11)12/h3H,1-2H3
- Stored Murcko scaffold
- N=1S[CH]OC1c2cscc2
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
- 5
- 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
- 134.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.574
- 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 · 4249954
Mitochondrial Fusion
Dataset #19 · 4249954