Molecule card · MolClass #47631
853366
853366: 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
- 853366Mitochondrial Fusion · compound_name
- MolClass ID
- 47631
- InChIKey
- BQMNMGZWFMTPIW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(N1CCOCC1)N2CCN(C2)S(=O)(=O)c3ccccc3
- Standard InChI
- InChI=1S/C14H19N3O4S/c18-14(15-8-10-21-11-9-15)16-6-7-17(12-16)22(19,20)13-4-2-1-3-5-13/h1-5H,6-12H2
- Stored Murcko scaffold
- O1CCN([CH]N2CN(Sc3ccccc3)CC2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 78.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.061
- 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 · 853366