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

Formula:C20H16N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(1,3-benzodioxol-5-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(1,3-benzodioxol-5-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H16N2O7
Smiles	CCOc(cc(/C=C(\C(NC(N1c(cc2)cc3c2OCO3)=O)=O)/C1=O)cc1)c1O
InChI	InChI=1S/C20H16N2O7/c1-2-27-16-8-11(3-5-14(16)23)7-13-18(24)21-20(26)22(19(13)25)12-4-6-15-17(9-12)29-10-28-15/h3-9,23H,2,10H2,1H3,(H,21,24,26)
InChIK	JQKOPTXJJMPRIZ-UHFFFAOYSA-N
TotalMolweight	396.354
Molweight	396.354
MonoisotopicMass	396.095753
CLogP	2.2574
CLogS	-4.62
H Acceptors	9
H Donors	2
TotalSurfaceArea	281.87
Relative PSA	0.34495
PolarSurfaceArea	114.4
Druglikeness	3.3034
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	2
StereoCon

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