Molecule card · MolClass #36510
17510208
17510208: 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
- 17510208Mitochondrial Fusion · compound_name
- MolClass ID
- 36510
- InChIKey
- PFBYGNWQTPOBMO-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(CC)C2OCC(C[N+]1(C)(CCOCC1))O2
- Standard InChI
- InChI=1S/C16H32NO3/c1-4-6-7-14(5-2)16-19-13-15(20-16)12-17(3)8-10-18-11-9-17/h14-16H,4-13H2,1-3H3/q+1
- Stored Murcko scaffold
- O1CC[NH+](CC1)CC2OCOC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.447
- 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 · 17510208