Molecule card · MolClass #13504

1920465

1920465: 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

MolClass ID: 13504
InChIKey: SRSIVKZVRZLXLZ-UHFFFAOYSA-N
Canonical SMILES: Oc1ccc2cc(ccc2(c1))c3ccc4cc(O)ccc4(c3)
Standard InChI: InChI=1S/C20H14O2/c21-19-7-5-15-9-13(1-3-17(15)11-19)14-2-4-18-12-20(22)8-6-16(18)10-14/h1-12,21-22H
Stored Murcko scaffold: c1ccc2cc(ccc2c1)-c3ccc4ccccc4c3

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.

159416-83-8#4242
161221-84-7#4653
303-45-7#6020
28164-57-0#6841
39093-14-6#7148
CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O#155874

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 40.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 286.325 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.518; 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.

Xenopus Actin Polymerization
Dataset #12 · 1920465