Molecule card · MolClass #13365

1160203

1160203: 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

MolClass ID: 13365
InChIKey: FDCOZLJPSVUAAO-UHFFFAOYSA-N
Canonical SMILES: CC2CC(=O)Oc3cc(OCc1ccccc1)c(cc23)OCc4ccccc4
Standard InChI: InChI=1S/C24H20O4/c1-17-12-24(25)28-21-14-23(27-16-19-10-6-3-7-11-19)22(13-20(17)21)26-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3
Stored Murcko scaffold: O1[CH]C=Cc2cc(OCc3ccccc3)c(OCc4ccccc4)cc12

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: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.53 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 372.414 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.952; 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.

Xenopus Actin Polymerization
Dataset #12 · 1160203