Molecule card · MolClass #39863
14740231
14740231: 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
- 14740231Mitochondrial Fusion · compound_name
- MolClass ID
- 39863
- InChIKey
- QSUYKINLPPFIRE-UHFFFAOYSA-N
- Canonical SMILES
- CCCS(=O)(=O)N1CCN(CC1)CC2CC=CCC2
- Standard InChI
- InChI=1S/C14H26N2O2S/c1-2-12-19(17,18)16-10-8-15(9-11-16)13-14-6-4-3-5-7-14/h3-4,14H,2,5-13H2,1H3
- Stored Murcko scaffold
- C1=CCC(CN2CCNCC2)CC1
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.
- 24804131#46789
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
- 49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.945
- 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.
Mitochondrial Fusion
Dataset #19 · 14740231