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

Formula:C27H19O8F Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[3-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenyl]-(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid is a drug-like molecule.

MolName	(Z)-4-[3-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenyl]-(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
MolecularFormula	C27H19O8F
Smiles	O/C(/c1cccc(C(c2cc(/C(/O)=C/C(C(O)=O)=O)ccc2)c(cccc2)c2F)c1)=C\C(C(O)=O)=O
InChI	InChI=1S/C27H19FO8/c28-20-10-2-1-9-19(20)25(17-7-3-5-15(11-17)21(29)13-23(31)26(33)34)18-8-4-6-16(12-18)22(30)14-24(32)27(35)36/h1-14,25,29-30H,(H,33,34)(H,35,36)
InChIK	YFPIHZSEVHPBGW-UHFFFAOYSA-N
TotalMolweight	490.438
Molweight	490.438
MonoisotopicMass	490.106398
CLogP	1.4789
CLogS	-3.85
H Acceptors	8
H Donors	4
TotalSurfaceArea	357.45
Relative PSA	0.29252
PolarSurfaceArea	149.2
Druglikeness	-7.9518
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	14
AcidicOxygens	2
StereoCon

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

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