Molecule card · MolClass #23733
ZINC01671638
ZINC01671638: 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
- ZINC01671638Metabolite Likeness · compound_name
- MolClass ID
- 23733
- InChIKey
- XQKVPZFRZIYWCN-UHFFFAOYSA-N
- Canonical SMILES
- Nc1cccc2c4nsc3cccc(C(=O)c12)c34
- Standard InChI
- InChI=1S/C14H8N2OS/c15-9-5-1-3-7-11(9)14(17)8-4-2-6-10-12(8)13(7)16-18-10/h1-6H,15H2
- Stored Murcko scaffold
- n1sc2cccc3cc4ccccc4c1c23
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.194
- 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 · ZINC01671638