Molecule card · MolClass #46170
22413544
22413544: 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
- 22413544Mitochondrial Fusion · compound_name
- MolClass ID
- 46170
- InChIKey
- PHZLPPXHFATYTA-UHFFFAOYSA-N
- Canonical SMILES
- CCCNC(=O)C2=Cc1ccccc1C(=O)O2
- Standard InChI
- InChI=1S/C13H13NO3/c1-2-7-14-12(15)11-8-9-5-3-4-6-10(9)13(16)17-11/h3-6,8H,2,7H2,1H3,(H,14,15)
- Stored Murcko scaffold
- O1C=Cc2ccccc2[CH]1
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.
- LOPAC 00853#393
- 85198167#29917
- 4245904#32217
- 85146769#32361
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.248 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.285
- 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 · 22413544