Molecule card · MolClass #92124
AZM90
AZM90: 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
- 92124
- InChIKey
- MMYXLHQQIXXGRR-UHFFFAOYSA-N
- Canonical SMILES
- Nc1ccc(cc1)OCCc2ccccc2
- Standard InChI
- InChI=1S/C14H15NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11,15H2
- Stored Murcko scaffold
- O(c1ccccc1)CCc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 213.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.988
- 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.
Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM90