Molecule card · MolClass #48025
843219
843219: 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
- 843219Mitochondrial Fusion · compound_name
- MolClass ID
- 48025
- InChIKey
- VTJXFMYKFCXVKV-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)N1CCC(CC1)NC(=O)C2CCCCC2
- Standard InChI
- InChI=1S/C14H26N2O3S/c1-2-20(18,19)16-10-8-13(9-11-16)15-14(17)12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,15,17)
- Stored Murcko scaffold
- [CH](NC1CCNCC1)C2CCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.971
- 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 · 843219