Structure of molecule 1773

Molecule card · MolClass #1773

Mometasone furoate

Mometasone furoate: 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
Mometasone furoateFlucanozole Synergizer · compound_name
56463118Antifungal Pump Inhibitors · compound_name
MolClass ID
1773
InChIKey
WOFMFGQZHJDGCX-ZULDAHANSA-N
Canonical SMILES
CC4CC2C5CCC1=CC(=O)C=CC1(C)C5(C(O)CC2(C)C4(OC(=O)c3ccco3)C(=O)CCl)Cl
Standard InChI
InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
Stored Murcko scaffold
o1cccc1[CH]OC2CCC3C2CCC4C5C=C[CH]C=C5CCC43

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
93.81 Ų
CDK 2.12 · 2026-08-19
Molecular weight
521.43 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.277
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 · Mometasone furoate

  • Antifungal Pump Inhibitors

    Dataset #18 · 56463118