Molecule card · MolClass #38491
24833618
24833618: 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
- 24833618Mitochondrial Fusion · compound_name
- MolClass ID
- 38491
- InChIKey
- FFQRKQKXMFFTME-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)Cc1coc2cc3CCCc3(cc12)
- Standard InChI
- InChI=1S/C13H12O3/c14-13(15)6-10-7-16-12-5-9-3-1-2-8(9)4-11(10)12/h4-5,7H,1-3,6H2,(H,14,15)
- Stored Murcko scaffold
- o1ccc2cc3c(cc12)CCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 216.233 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.34
- 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 · 24833618