Dydrogesterone

Structure and identifiers

Imported compound names

DydrogesteroneFlucanozole Synergizer · compound_name

103770836Liver Toxcicity · compound_name

MolClass ID

1882

InChIKey

JGMOKGBVKVMRFX-HQZYFCCVSA-N

Canonical SMILES

CC(=O)C2CCC3C4C=CC1=CC(=O)CCC1(C)C4(CCC23(C))

Standard InChI

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1

Stored Murcko scaffold

C=1[CH]CCC2C1C=CC3C2CCC4CCCC34

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.

• Canrenoic acid potassium salt#1762
• Megestrol acetate#1932
• Nomegestrol acetate#1999
• MEGESTROL ACETATE#2070
• CANRENOIC ACID, POTASSIUM SALT#2234
• 103333818#25299
• CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C#155069
• CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O#155094
• CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4C3CCC21C)C(C)=O#155139
• [K+].[O-]C(=O)CCC1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C#155434
• CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O#156114

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors

2

CDK 2.12 · 2026-08-19

Hydrogen bond donors

0

CDK 2.12 · 2026-08-19

Rotatable bonds

1

CDK 2.12 · 2026-08-19

Topological polar surface area

34.14 Ų

CDK 2.12 · 2026-08-19

Molecular weight

312.447 g/mol

CDK 2.12 · 2026-08-19

XLogP

4.708

CDK 2.12 · 2026-08-19

Source datasets

Dataset registrations and identifiers stored in MolClass.

• Flucanozole Synergizer

  Dataset #3 · Dydrogesterone

• Liver Toxcicity

  Dataset #17 · 103770836