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

Formula:C18H14N2O4 Mutagenic:low Tumorigenic:none Reproductive Effective:high (5E)-1-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C18H14N2O4
Smiles	Oc1ccc(/C=C(\C(NC(N2Cc3ccccc3)=O)=O)/C2=O)cc1
InChI	InChI=1S/C18H14N2O4/c21-14-8-6-12(7-9-14)10-15-16(22)19-18(24)20(17(15)23)11-13-4-2-1-3-5-13/h1-10,21H,11H2,(H,19,22,24)
InChIK	DSJJLBWTTPIHNB-UHFFFAOYSA-N
TotalMolweight	322.319
Molweight	322.319
MonoisotopicMass	322.095358
CLogP	1.7326
CLogS	-3.069
H Acceptors	6
H Donors	2
TotalSurfaceArea	239.35
Relative PSA	0.28089
PolarSurfaceArea	86.71
Druglikeness	5.7425
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

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