Molecule card · MolClass #35546
857968
857968: 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
- 857968Mitochondrial Fusion · compound_name
- MolClass ID
- 35546
- InChIKey
- BNONAEFSRJRCND-LIZLNQBYSA-N
- Canonical SMILES
- CC2(O)(CC3(C)(N(O)C1CCCCC1N3(O2)))
- Standard InChI
- InChI=1S/C11H20N2O3/c1-10-7-11(2,14)16-13(10)9-6-4-3-5-8(9)12(10)15/h8-9,14-15H,3-7H2,1-2H3/t8?,9-,10+,11?/m0/s1
- Stored Murcko scaffold
- O1N2C(NC3CCCCC23)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.
- 858030#25614
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.289 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.442
- 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 · 857968