Molecule card · MolClass #15668
1510751
1510751: 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
- 15668
- InChIKey
- AHYDSKZMHQDNEM-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nnc(SCCO)s1
- Standard InChI
- InChI=1S/C4H7N3OS2/c5-3-6-7-4(10-3)9-2-1-8/h8H,1-2H2,(H2,5,6)
- Stored Murcko scaffold
- n1ncsc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 177.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.078
- 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 · 1510751