Molecule card · MolClass #15217
1180930
1180930: 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
- 15217
- InChIKey
- URIFHMYOGJXZQG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(cs1)C3CC(=O)OC23(CCCC2)
- Standard InChI
- InChI=1S/C12H15NO2S/c1-8-13-10(7-16-8)9-6-11(14)15-12(9)4-2-3-5-12/h7,9H,2-6H2,1H3
- Stored Murcko scaffold
- n1cscc1C2C[CH]OC32CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.952
- 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 · 1180930