Molecule card · MolClass #37294

4263901

4263901: 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: 4263901Mitochondrial Fusion · compound_name
MolClass ID: 37294
InChIKey: WYLFSJUSABJKTE-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C1C(=O)CC(=O)CC1(CC(C)SCC)
Standard InChI: InChI=1S/C14H22O4S/c1-4-18-14(17)13-10(6-9(3)19-5-2)7-11(15)8-12(13)16/h9-10,13H,4-8H2,1-3H3
Stored Murcko scaffold: [CH]1C[CH]CCC1

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.

1921116#16336
1922716#17173
7978244#29063
17507369#29816
14724551#30154
24817049#31693
14732512#42249

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: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 85.74 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 286.389 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.288; 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 · 4263901