Molecule card · MolClass #38329

4262189

4262189: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 4262189Mitochondrial Fusion · compound_name
MolClass ID: 38329
InChIKey: SFGZPWOHNSNBLT-UHFFFAOYSA-N
Canonical SMILES: Cc2ccc(Cc1cncc(O)c1)cc2S(=O)(=O)O
Standard InChI: InChI=1S/C13H13NO4S/c1-9-2-3-10(6-13(9)19(16,17)18)4-11-5-12(15)8-14-7-11/h2-3,5-8,15H,4H2,1H3,(H,16,17,18)
Stored Murcko scaffold: n1cccc(c1)Cc2ccccc2

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.

49649014#31567
24818950#37267
17409612#37282
24791050#38300
24818918#39296
22404088#48473
[O-][N+](=O)c1cc(C)c(c(C(C)c2ccc(C)nc2)c1C)[N+]([O-])=O#152501

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; 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: 95.87 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 279.313 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.939; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 4262189