Molecule card · MolClass #24585
K786-6860
K786-6860: 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
- K786-6860Compound aggregation · compound_name
- MolClass ID
- 24585
- InChIKey
- HHWGCMBGBMUUKB-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC(C)CC2
- Standard InChI
- InChI=1S/C14H26N2O3S/c1-3-20(18,19)16-10-6-13(7-11-16)14(17)15-8-4-12(2)5-9-15/h12-13H,3-11H2,1-2H3
- Stored Murcko scaffold
- [CH](N1CCCCC1)C2CCNCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.235
- 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.
Compound aggregation
Dataset #16 · K786-6860