Molecule card · MolClass #15988
3043205
3043205: 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
- 15988
- InChIKey
- UDVSWENNCCJBDP-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C(=O)Cc2noc3ccccc23
- Standard InChI
- InChI=1S/C15H18N2O2/c1-11-6-8-17(9-7-11)15(18)10-13-12-4-2-3-5-14(12)19-16-13/h2-5,11H,6-10H2,1H3
- Stored Murcko scaffold
- n1oc2ccccc2c1C[CH]N3CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.528
- 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 · 3043205