Molecule card · MolClass #2786
3375-84-6
3375-84-6: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 2786
- InChIKey
- HJXDCFUIDHJETK-UHFFFAOYSA-N
- Canonical SMILES
- CC(O)CN1CC(C)OC1(=O)
- Standard InChI
- InChI=1S/C7H13NO3/c1-5(9)3-8-4-6(2)11-7(8)10/h5-6,9H,3-4H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]OCC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 159.183 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.024
- 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.
Toxicity Benchmark
Dataset #5 · 3375-84-6
Ames Categorization
Dataset #6 · 3375-84-6