Molecule card · MolClass #23726
ZINC24323758
ZINC24323758: 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
- ZINC24323758Metabolite Likeness · compound_name
- MolClass ID
- 23726
- InChIKey
- GZZVRMVBXFBRSX-UHFFFAOYSA-N
- Canonical SMILES
- CCOc4ccc(cc4(CN2C=Nc1cc3ccccc3(cc1C2(=O))))C(C)=O
- Standard InChI
- InChI=1S/C23H20N2O3/c1-3-28-22-9-8-16(15(2)26)10-19(22)13-25-14-24-21-12-18-7-5-4-6-17(18)11-20(21)23(25)27/h4-12,14H,3,13H2,1-2H3
- Stored Murcko scaffold
- N1=CN([CH]c2cc3ccccc3cc12)Cc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.03
- 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 · ZINC24323758