Molecule card · MolClass #40091
7976230
7976230: 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
- 7976230Mitochondrial Fusion · compound_name
- MolClass ID
- 40091
- InChIKey
- KLMWFTADYZTZLP-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)N1CCN(CC1)C(C)CCc2ccccc2
- Standard InChI
- InChI=1S/C16H26N2O2S/c1-3-21(19,20)18-13-11-17(12-14-18)15(2)9-10-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CCCN2CCNCC2
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.
- 47197138#33134
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.344
- 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 · 7976230