Molecule card · MolClass #23669
ZINC13635186
ZINC13635186: 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
- ZINC13635186Metabolite Likeness · compound_name
- MolClass ID
- 23669
- InChIKey
- Not recorded
- Canonical SMILES
- COCCN5C(=O)C2(NCCc1c3ccccc3([nH]c12))(c4ccccc45)
- Standard InChI
- null
- Stored Murcko scaffold
- [N]1[CH]C2(NCCc3c4ccccc4[nH]c32)c5ccccc15
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.703
- 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 · ZINC13635186