Molecule card · MolClass #42340
4255036
4255036: 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
- 4255036Mitochondrial Fusion · compound_name
- MolClass ID
- 42340
- InChIKey
- RFEHGQVMRDHQPX-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CCC(=O)N2(OCCCCOc1ccccc1)
- Standard InChI
- InChI=1S/C14H17NO4/c16-13-8-9-14(17)15(13)19-11-5-4-10-18-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
- Stored Murcko scaffold
- O(c1ccccc1)CCCCON2[CH]CC[CH]2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.524
- 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 · 4255036