Molecule card · MolClass #43812
17414065
17414065: 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
- 17414065Mitochondrial Fusion · compound_name
- MolClass ID
- 43812
- InChIKey
- VTIORTGFGKWWEJ-UHFFFAOYSA-N
- Canonical SMILES
- CON2C(=O)C(=O)N(OC)C1CCCCC12
- Standard InChI
- InChI=1S/C10H16N2O4/c1-15-11-7-5-3-4-6-8(7)12(16-2)10(14)9(11)13/h7-8H,3-6H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH][CH][N]C2CCCCC12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.08
- 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 · 17414065