Molecule card · MolClass #23556
ZINC04294043
ZINC04294043: 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
- ZINC04294043Metabolite Likeness · compound_name
- MolClass ID
- 23556
- InChIKey
- SFDKPYLPDCTDCV-UHFFFAOYSA-N
- Canonical SMILES
- NNc1nc(cs1)c2cccc(F)c2(F)
- Standard InChI
- InChI=1S/C9H7F2N3S/c10-6-3-1-2-5(8(6)11)7-4-15-9(13-7)14-12/h1-4H,12H2,(H,13,14)
- Stored Murcko scaffold
- n1cscc1-c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.934
- 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 · ZINC04294043