Molecule card · MolClass #1559

Lynestrenol

Lynestrenol: 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: LynestrenolFlucanozole Synergizer · compound_name
MolClass ID: 1559
InChIKey: YNVGQYHLRCDXFQ-XGXHKTLJSA-N
Canonical SMILES: C#CC3(O)(CCC2C4CCC1=CCCCC1C4(CCC23(C)))
Standard InChI: InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Stored Murcko scaffold: C1=C2CCC3C(CCC4CCCC43)C2CCC1

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.

Ethynodiol diacetate#1964
HMDB05849#24171
CC(=O)OC1CCC2C3CCC4(C)C(CCC4(OC(C)=O)C#C)C3CCC2=C1#155115
CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)C#C#155295
CC(=O)OC1CCC2C3CCC4(C)C(CC(C#C)C4OC(C)=O)C3CCC2=C1#156570

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 20.23 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 284.436 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.336; 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.

Flucanozole Synergizer
Dataset #3 · Lynestrenol