Molecule card · MolClass #37536
17386837
17386837: 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
- 17386837Mitochondrial Fusion · compound_name
- MolClass ID
- 37536
- InChIKey
- RVGDDNFEWDRBHC-APRNYSDUSA-N
- Canonical SMILES
- CC(O)C3CCC4C5CCC1CC(O)CCC1(C)C5(CC2(OCCO2)C34(C))
- Standard InChI
- InChI=1S/C23H38O4/c1-14(24)18-6-7-19-17-5-4-15-12-16(25)8-9-21(15,2)20(17)13-23(22(18,19)3)26-10-11-27-23/h14-20,24-25H,4-13H2,1-3H3/t14?,15-,16?,17?,18?,19?,20?,21?,22?/m0/s1
- Stored Murcko scaffold
- O1CCOC12CC3C4CCCCC4CCC3C5CCCC52
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.546 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.571
- 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 · 17386837