Molecule card · MolClass #46827
24802782
24802782: 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
- 24802782Mitochondrial Fusion · compound_name
- MolClass ID
- 46827
- InChIKey
- YWZWNDCJUFFVLP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN1CC(CC1(=O))C(=O)O
- Standard InChI
- InChI=1S/C9H15NO3/c1-6(2)4-10-5-7(9(12)13)3-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
- Stored Murcko scaffold
- [N]1[CH]CCC1
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.
- LOPAC 00328#97
- LOPAC 01109#860
- LOPAC 01142#876
- LOPAC 00220#881
- 872-50-4#2746
- 9003-39-8#6975
- HMDB00805#23951
- 103397964#25277
- 14735645#41731
- 24802787#46838
- 852134#47313
- [IH-].C[N+](C)(C)CC#CCN1CCCC1=O#153691
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 185.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.04
- 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 · 24802782