Molecule card · MolClass #1610

Fludrocortisone acetate

Fludrocortisone acetate: 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: Fludrocortisone acetateFlucanozole Synergizer · compound_name
MolClass ID: 1610
InChIKey: UUHYILPJUKGJDI-JIVIZWELSA-N
Canonical SMILES: CC(=O)OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(F)(C(=O)CC23(C)))
Standard InChI: InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-17,29H,4-9,11-12H2,1-3H3/t16-,17-,20-,21-,22-,23?/m0/s1
Stored Murcko scaffold: C=1[CH]CCC2C1CCC3C2[CH]CC4CCCC43

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.

LOPAC 00761#198
LOPAC 00764#227
Cortisone#1357
CORTISONE ACETATE#2213
5745#9706
124976354#25075
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(=O)CC21C#155338

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 97.74 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 420.472 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.077; 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 · Fludrocortisone acetate