Molecule card · MolClass #23632
ZINC03013844
ZINC03013844: 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
- ZINC03013844Metabolite Likeness · compound_name
- MolClass ID
- 23632
- InChIKey
- MQKUZPNXEPOONF-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(c1ccccc1)c(C)c2c4ccccc4(OC(=O)c3ccccc3)
- Standard InChI
- InChI=1S/C24H20N2O2/c1-17-23(18(2)26(25-17)20-13-7-4-8-14-20)21-15-9-10-16-22(21)28-24(27)19-11-5-3-6-12-19/h3-16H,1-2H3
- Stored Murcko scaffold
- n1cc(cn1-c2ccccc2)-c3ccccc3O[CH]c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.94
- 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 · ZINC03013844