Structure of molecule 1390

Molecule card · MolClass #1390

Dienestrol

Dienestrol: 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
DienestrolFlucanozole Synergizer · compound_name
855694Mitochondrial Fusion · compound_name
MolClass ID
1390
InChIKey
NFDFQCUYFHCNBW-SCGPFSFSSA-N
Canonical SMILES
CC=C(c1ccc(O)cc1)C(=CC)c2ccc(O)cc2
Standard InChI
InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
Stored Murcko scaffold
c1ccc(cc1)[CH][CH]c2ccccc2

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
2
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
40.46 Ų
CDK 2.12 · 2026-08-19
Molecular weight
266.335 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.908
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 · Dienestrol

  • Mitochondrial Fusion

    Dataset #19 · 855694