Molecule card · MolClass #6143

151910-74-6

151910-74-6: 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: 6143
InChIKey: FCBQLOHCJAICDK-UHFFFAOYSA-N
Canonical SMILES: OC5C=Cc4c(ccc3cc2c(ccc1C(O)C(O)C=Cc12)cc34)C5(O)
Standard InChI: InChI=1S/C22H18O4/c23-19-7-5-13-15(21(19)25)3-1-11-9-18-12(10-17(11)13)2-4-16-14(18)6-8-20(24)22(16)26/h1-10,19-26H
Stored Murcko scaffold: c1cc2c(C=CCC2)c3cc4ccc5c(C=CCC5)c4cc13

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 4; CDK 2.12 · 2026-08-19
Rotatable bonds: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 80.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 346.377 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.364; 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.

Toxicity Benchmark
Dataset #5 · 151910-74-6