(Z)-4-[3-[[2-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid

Formula:C28H22O10 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[3-[[2-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid is not a drug-like molecule.

MolName	(Z)-4-[3-[[2-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
MolecularFormula	C28H22O10
Smiles	O/C(/c1cccc(OCc2c(COc3cccc(/C(/O)=C/C(C(O)=O)=O)c3)cccc2)c1)=C\C(C(O)=O)=O
InChI	InChI=1S/C28H22O10/c29-23(13-25(31)27(33)34)17-7-3-9-21(11-17)37-15-19-5-1-2-6-20(19)16-38-22-10-4-8-18(12-22)24(30)14-26(32)28(35)36/h1-14,29-30H,15-16H2,(H,33,34)(H,35,36)
InChIK	QZYXVVTWBQELSX-UHFFFAOYSA-N
TotalMolweight	518.473
Molweight	518.473
MonoisotopicMass	518.1213
CLogP	1.377
CLogS	-3.974
H Acceptors	10
H Donors	4
TotalSurfaceArea	386.12
Relative PSA	0.32259
PolarSurfaceArea	167.66
Druglikeness	-6.7335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	12
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	19
AcidicOxygens	2
StereoCon

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1 - (Z)-4-[3-[[2-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid | 2 - (Z)-4-[3-[[2-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenoxy]methyl]phenyl]methoxy]phenyl]-4-hydroxy-2-oxobut-3-enoic acid

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