Molecule card · MolClass #41377
4248157
4248157: 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
- 4248157Mitochondrial Fusion · compound_name
- MolClass ID
- 41377
- InChIKey
- AFKFUBALTAKYJD-UHFFFAOYSA-N
- Canonical SMILES
- CCCS(=O)(=O)N1CCC(CC1)C(=O)NC2CCC(C)CC2
- Standard InChI
- InChI=1S/C16H30N2O3S/c1-3-12-22(20,21)18-10-8-14(9-11-18)16(19)17-15-6-4-13(2)5-7-15/h13-15H,3-12H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- [CH](NC1CCCCC1)C2CCNCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.488 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.415
- 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 · 4248157