Molecule card · MolClass #23706
ZINC06030868
ZINC06030868: 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
- ZINC06030868Metabolite Likeness · compound_name
- MolClass ID
- 23706
- InChIKey
- IAEOUKDLBPACNG-RDDDGLTNSA-N
- Canonical SMILES
- CC(=O)N2C(=O)NC(=O)C12(CCCCC1(C))
- Standard InChI
- InChI=1S/C11H16N2O3/c1-7-5-3-4-6-11(7)9(15)12-10(16)13(11)8(2)14/h7H,3-6H2,1-2H3,(H,12,15,16)/t7-,11-/m1/s1
- Stored Murcko scaffold
- [N]1[CH]N[CH]C12CCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 224.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.001
- 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 · ZINC06030868