(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione

Formula:C24H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione
MolecularFormulaC24H18N2O5
SmilesOc1ccc(/C=C(\C(NC(N2c(cc3)ccc3OCc3ccccc3)=O)=O)/C2=O)cc1
InChIInChI=1S/C24H18N2O5/c27-19-10-6-16(7-11-19)14-21-22(28)25-24(30)26(23(21)29)18-8-12-20(13-9-18)31-15-17-4-2-1-3-5-17/h1-14,27H,15H2,(H,25,28,30)
InChIKLNAZMBDIMZCJAN-UHFFFAOYSA-N
TotalMolweight414.416
Molweight414.416
MonoisotopicMass414.121573
CLogP3.1578
CLogS-4.932
H Acceptors7
H Donors2
TotalSurfaceArea309.11
Relative PSA0.24985
PolarSurfaceArea95.94
Druglikeness4.5384
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.6129
Fragments1
Non HAtoms31
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms6
Amides2
StereoCon

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