Molecule card · MolClass #52348
861852
861852: 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
- 861852Mitochondrial Fusion · compound_name
- MolClass ID
- 52348
- InChIKey
- UCUZLOZCUKBOAT-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1
- Standard InChI
- InChI=1S/C16H28N4O4S/c1-16(2,3)24-14(22)17-10-8-6-7-9-12-18-19-15(23-12)25-11-13(21)20(4)5/h6-11H2,1-5H3,(H,17,22)
- Stored Murcko scaffold
- n1ncoc1
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.
- 26662818#34752
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 13
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 122.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.485 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.851
- 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 · 861852