Structure of molecule 1746

Molecule card · MolClass #1746

Norethynodrel

Norethynodrel: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
NorethynodrelFlucanozole Synergizer · compound_name
103469373Liver Toxcicity · compound_name
MolClass ID
1746
InChIKey
ICTXHFFSOAJUMG-SLHNCBLASA-N
Canonical SMILES
C#CC3(O)(CCC2C4CCC=1CC(=O)CCC=1C4(CCC23(C)))
Standard InChI
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1
Stored Murcko scaffold
[CH]1CC2=C(CC1)C3CCC4CCCC4C3CC2

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
2
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
37.3 Ų
CDK 2.12 · 2026-08-19
Molecular weight
298.42 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.48
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.

  • Flucanozole Synergizer

    Dataset #3 · Norethynodrel

  • Liver Toxcicity

    Dataset #17 · 103469373