Molecule card · MolClass #18185
1244212
1244212: 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
- MolClass ID
- 18185
- InChIKey
- QFTYONXEHAAWFH-UHFFFAOYSA-N
- Canonical SMILES
- CN1c2ccc(cc2(C(=O)S1))S(=O)(=O)NC3CC3
- Standard InChI
- InChI=1S/C11H12N2O3S2/c1-13-10-5-4-8(6-9(10)11(14)17-13)18(15,16)12-7-2-3-7/h4-7,12H,2-3H2,1H3
- Stored Murcko scaffold
- S1[CH]c2cc(SNC3CC3)ccc2N1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.603
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1244212