Molecule card · MolClass #48395
865484
865484: 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
- 865484Mitochondrial Fusion · compound_name
- MolClass ID
- 48395
- InChIKey
- QSZOMNJRXBXAMM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC1OC(=O)c2ccccc12)c3ccco3
- Standard InChI
- InChI=1S/C14H10O4/c15-11(12-6-3-7-17-12)8-13-9-4-1-2-5-10(9)14(16)18-13/h1-7,13H,8H2
- Stored Murcko scaffold
- o1cccc1[CH]CC2O[CH]c3ccccc32
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.227 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.968
- 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 · 865484