Molecule card · MolClass #37993
7974641
7974641: 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
- 7974641Mitochondrial Fusion · compound_name
- MolClass ID
- 37993
- InChIKey
- XPIFRLNFQYDAJY-UHFFFAOYSA-N
- Canonical SMILES
- OC1CCCCC1P(=O)(O)CN2CCCCC2
- Standard InChI
- InChI=1S/C12H24NO3P/c14-11-6-2-3-7-12(11)17(15,16)10-13-8-4-1-5-9-13/h11-12,14H,1-10H2,(H,15,16)
- Stored Murcko scaffold
- P(CN1CCCCC1)C2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.254
- 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 · 7974641