Molecule card · MolClass #23488
ZINC12419043
ZINC12419043: 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
- ZINC12419043Metabolite Likeness · compound_name
- MolClass ID
- 23488
- InChIKey
- UVFHIKPSHOJNCZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2nc(c(o2)N(C)C)S(=O)(=O)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C18H17FN2O3S/c1-12-4-6-13(7-5-12)16-20-17(18(24-16)21(2)3)25(22,23)15-10-8-14(19)9-11-15/h4-11H,1-3H3
- Stored Murcko scaffold
- n1c(Sc2ccccc2)coc1-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.402
- 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 · ZINC12419043