Molecule card · MolClass #44452
14732946
14732946: 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
- 14732946Mitochondrial Fusion · compound_name
- MolClass ID
- 44452
- InChIKey
- NDROFPQUPORYAX-UHFFFAOYSA-N
- Canonical SMILES
- CC1=C(C(=O)N(C)C(=O)N1(C))S(=O)(=O)N2CCOCC2
- Standard InChI
- InChI=1S/C11H17N3O5S/c1-8-9(10(15)13(3)11(16)12(8)2)20(17,18)14-4-6-19-7-5-14/h4-7H2,1-3H3
- Stored Murcko scaffold
- n1cncc(SN2CCOCC2)c1
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.
- 7971133#30529
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- 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
- 95.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.712
- 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 · 14732946