Molecule card · MolClass #37723
858628
858628: 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
- 858628Mitochondrial Fusion · compound_name
- MolClass ID
- 37723
- InChIKey
- CCYKZKZYOFVQPG-UHFFFAOYSA-N
- Canonical SMILES
- CCCCSP1(NCCCO1)=S
- Standard InChI
- InChI=1S/C7H16NOPS2/c1-2-3-7-12-10(11)8-5-4-6-9-10/h2-7H2,1H3,(H,8,11)
- Stored Murcko scaffold
- O1PNCCC1
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 00747#196
- Ifosfamide#1888
- 22089-22-1#5047
- NOCAS_M172#6422
- 22089-22-1#7619
- 3778-73-2#8253
- 50-18-0#8633
- O.O=P1(N(CCCl)CCCl)NCCCO1#155757
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 88.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.229
- 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 · 858628