Molecule card · MolClass #24903
3216-0010
3216-0010: 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
- 3216-0010Compound aggregation · compound_name
- MolClass ID
- 24903
- InChIKey
- SFUZGQUFEUZKQX-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Nc1ccc2OCCOc2(c1))c3ccc4OCCOc4(c3)
- Standard InChI
- InChI=1S/C16H15NO6S/c18-24(19,12-2-4-14-16(10-12)23-8-6-21-14)17-11-1-3-13-15(9-11)22-7-5-20-13/h1-4,9-10,17H,5-8H2
- Stored Murcko scaffold
- O1c2ccc(SNc3ccc4OCCOc4c3)cc2OCC1
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
- 3
- 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
- 91.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.687
- 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.
Compound aggregation
Dataset #16 · 3216-0010