Structure of molecule 35660

Molecule card · MolClass #35660

17505318

17505318: 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
17505318Mitochondrial Fusion · compound_name
MolClass ID
35660
InChIKey
IBFYXTRXDNAPMM-VZVOBWAWSA-N
Canonical SMILES
COC(=O)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C3C(CO)=CCC23
Standard InChI
InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10?,11-,12?,13?,14?,16+,17?/m1/s1
Stored Murcko scaffold
O1C=CC2CC=CC2C1OC3OCCCC3

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
10
CDK 2.12 · 2026-08-19
Hydrogen bond donors
5
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
155.14 Ų
CDK 2.12 · 2026-08-19
Molecular weight
388.367 g/mol
CDK 2.12 · 2026-08-19
XLogP
-1.854
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 · 17505318