Molecule card · MolClass #37421
24841457
24841457: 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
- 24841457Mitochondrial Fusion · compound_name
- MolClass ID
- 37421
- InChIKey
- WOGBNISMMIOPAZ-UHFFFAOYSA-N
- Canonical SMILES
- OC3COC(OCC2OC(OCc1ccccc1)C(O)C(O)C2(O))C(O)C3(O)
- Standard InChI
- InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2
- Stored Murcko scaffold
- O(Cc1ccccc1)C2OC(COC3OCCCC3)CCC2
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
- 10
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 6
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 158.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.191
- 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 · 24841457