3-[3-(2-carboxyethyl)-5-[(4-hydroxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]propanoic acid

Formula:C17H16N2O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[3-(2-carboxyethyl)-5-[(4-hydroxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]propanoic acid is a drug-like molecule.

MolName	3-[3-(2-carboxyethyl)-5-[(4-hydroxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]propanoic acid
MolecularFormula	C17H16N2O8
Smiles	OC(CCN(C(C(C(N1CCC(O)=O)=O)=Cc(cc2)ccc2O)=O)C1=O)=O
InChI	InChI=1S/C17H16N2O8/c20-11-3-1-10(2-4-11)9-12-15(25)18(7-5-13(21)22)17(27)19(16(12)26)8-6-14(23)24/h1-4,9,20H,5-8H2,(H,21,22)(H,23,24)
InChIK	WRSALRXVKKWNEX-UHFFFAOYSA-N
TotalMolweight	376.32
Molweight	376.32
MonoisotopicMass	376.090668
CLogP	-0.2638
CLogS	-1.474
H Acceptors	10
H Donors	3
TotalSurfaceArea	267.91
Relative PSA	0.41656
PolarSurfaceArea	152.52
Druglikeness	4.3394
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	10
Amides	2
AcidicOxygens	2
StereoCon

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