Molecule card · MolClass #26878
24803956
24803956: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24803956Antifungal Pump Inhibitors · compound_name24803956Mitochondrial Fusion · compound_name
- MolClass ID
- 26878
- InChIKey
- LVDLOGDWSPRQQJ-UHFFFAOYSA-N
- Canonical SMILES
- CC1NCCC2(O)(CCCCC12)
- Standard InChI
- InChI=1S/C10H19NO/c1-8-9-4-2-3-5-10(9,12)6-7-11-8/h8-9,11-12H,2-7H2,1H3
- Stored Murcko scaffold
- N1CCC2CCCCC2C1
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 169.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.419
- 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 · 24803956
Mitochondrial Fusion
Dataset #19 · 24803956