Molecule card · MolClass #37257
853478
853478: 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
- 853478Mitochondrial Fusion · compound_name
- MolClass ID
- 37257
- InChIKey
- NMFGNYAOXZIRFE-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC(Nc3c1c2CCCCc2s3)c4cccs4
- Standard InChI
- InChI=1S/C14H14N2OS2/c17-13-11-8-4-1-2-5-9(8)19-14(11)16-12(15-13)10-6-3-7-18-10/h3,6-7,12,16H,1-2,4-5H2,(H,15,17)
- Stored Murcko scaffold
- s1cccc1C2N[CH]c3c(sc4c3CCCC4)N2
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.
- 857501#31311
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.14
- 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 · 853478