Molecule card · MolClass #17944
1981151
1981151: 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
- 17944
- InChIKey
- DLSBGLGTDVAWIU-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(Cc1c4ccccc4(ccc1C2=CC(=O)C(=O)N23))
- Standard InChI
- InChI=1S/C18H15NO2/c1-18(2)10-14-12-6-4-3-5-11(12)7-8-13(14)15-9-16(20)17(21)19(15)18/h3-9H,10H2,1-2H3
- Stored Murcko scaffold
- c1ccc2c(c1)ccc3-c4cccn4CCc23
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.
- 17507527#38731
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.136
- 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 · 1981151