Molecule card · MolClass #15876
1488467
1488467: 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
- MolClass ID
- 15876
- InChIKey
- UFOXQZIOFDLSIE-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1C(C)CC(O)N1(C(=O)CC#N)
- Standard InChI
- InChI=1S/C10H17N3O2/c1-7(2)12-8(3)6-10(15)13(12)9(14)4-5-11/h7-8,10,15H,4,6H2,1-3H3
- Stored Murcko scaffold
- [N]1NCCC1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 211.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.082
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1488467