Molecule card · MolClass #42175

4262257

4262257: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 4262257Mitochondrial Fusion · compound_name
MolClass ID: 42175
InChIKey: NDGHFRZPGHCOFE-UHFFFAOYSA-N
Canonical SMILES: CN(C)S(=O)(=O)CC12(CCC(CC1(=O))C2(C)(C))
Standard InChI: InChI=1S/C12H21NO3S/c1-11(2)9-5-6-12(11,10(14)7-9)8-17(15,16)13(3)4/h9H,5-8H2,1-4H3
Stored Murcko scaffold: [CH]1CC2CCC1C2

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.

79-92-5#4357
1195-79-5#4501
464-49-3#4915
79-92-5#9052
2063008#17264
1141872#17401
483#18996
4472#22816
7975938#27191
14731512#30466
22413590#32185
22413399#37978
16953909#42325
4255843#45920
862008#47323

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 62.83 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 259.367 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.086; 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 · 4262257