Molecule card · MolClass #35330
14728019
14728019: 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
- 14728019Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 35330
- InChIKey
- SUCHQVYFSMMIHY-UHFFFAOYSA-N
- Canonical SMILES
- Cn2c3ccccc3(cc2(c1ccccc1(O)))
- Standard InChI
- InChI=1S/C15H13NO/c1-16-13-8-4-2-6-11(13)10-14(16)12-7-3-5-9-15(12)17/h2-10,17H,1H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3ccccc3[nH]2
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.
View all molecules with this 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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.026
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 14728019