Molecule card · MolClass #36760
7966096
7966096: 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
- 7966096Mitochondrial Fusion · compound_name
- MolClass ID
- 36760
- InChIKey
- OMBWNPPMZGQQJI-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)NC(=O)Cn1cc2CC(C)CCc2(n1)
- Standard InChI
- InChI=1S/C14H23N3O/c1-4-11(3)15-14(18)9-17-8-12-7-10(2)5-6-13(12)16-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)
- Stored Murcko scaffold
- n1[nH]cc2c1CCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.453
- 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 · 7966096