Molecule card · MolClass #16492
1694130
1694130: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14725159Mitochondrial Fusion · compound_name
- MolClass ID
- 16492
- InChIKey
- HXZMPAFKEZIVON-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)(C)C1CCC2(CC1)(NC(CO)(CO)CO2)
- Standard InChI
- InChI=1S/C15H29NO3/c1-4-13(2,3)12-5-7-15(8-6-12)16-14(9-17,10-18)11-19-15/h12,16-18H,4-11H2,1-3H3
- Stored Murcko scaffold
- O1CCNC12CCCCC2
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.
- 847641#36072
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.756
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1694130
Mitochondrial Fusion
Dataset #19 · 14725159