Molecule card · MolClass #41510
14741850
14741850: 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
- 14741850Mitochondrial Fusion · compound_name
- MolClass ID
- 41510
- InChIKey
- HKIRCHNAYLONKU-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc3c(c1)C(=O)Oc2cc4occ(c4(cc23))C(C)(C)C
- Standard InChI
- InChI=1S/C20H18O4/c1-20(2,3)16-10-23-17-9-18-13(8-15(16)17)12-6-5-11(22-4)7-14(12)19(21)24-18/h5-10H,1-4H3
- Stored Murcko scaffold
- o1ccc2cc-3c(O[CH]c4ccccc43)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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.961
- 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 · 14741850