Molecule card · MolClass #48549
3714562
3714562: 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
- 3714562Mitochondrial Fusion · compound_name
- MolClass ID
- 48549
- InChIKey
- FGMQQMRIDDBLDH-UHFFFAOYSA-N
- Canonical SMILES
- Cc2coc3cc4OC(=O)C=1CCCC=1c4(cc23)
- Standard InChI
- InChI=1S/C15H12O3/c1-8-7-17-13-6-14-12(5-11(8)13)9-3-2-4-10(9)15(16)18-14/h5-7H,2-4H2,1H3
- Stored Murcko scaffold
- o1ccc2cc3c(O[CH]C4=C3CCC4)cc12
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.59
- 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 · 3714562