Molecule card · MolClass #23813
ZINC08626707
ZINC08626707: 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
- ZINC08626707Metabolite Likeness · compound_name
- MolClass ID
- 23813
- InChIKey
- GTUUQDGKLAAQJN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(c(cc1Cl)Cl)S(=O)(=O)ON=C(N)CS(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C15H14Cl2N2O5S2/c1-10-7-14(13(17)8-12(10)16)26(22,23)24-19-15(18)9-25(20,21)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,18,19)
- Stored Murcko scaffold
- N(OSc1ccccc1)=CCSc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 132.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 437.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.1
- 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.
Metabolite Likeness
Dataset #15 · ZINC08626707