2-[4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenoxy]acetic acid

Formula:C25H18NO6F Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenoxy]acetic acid
MolecularFormula	C25H18NO6F
Smiles	OC(COc(cc1)ccc1N(C(/C(/C1=O)=C(/c2ccccc2)\O)c(cccc2)c2F)C1=O)=O
InChI	InChI=1S/C25H18FNO6/c26-19-9-5-4-8-18(19)22-21(23(30)15-6-2-1-3-7-15)24(31)25(32)27(22)16-10-12-17(13-11-16)33-14-20(28)29/h1-13,22,30H,14H2,(H,28,29)/t22-/m1/s1
InChIK	GFHOMTLAOFNNJE-JOCHJYFZSA-N
TotalMolweight	447.417
Molweight	447.417
MonoisotopicMass	447.111817
CLogP	2.5951
CLogS	-4.1
H Acceptors	7
H Donors	2
TotalSurfaceArea	321.06
Relative PSA	0.24566
PolarSurfaceArea	104.14
Druglikeness	-1.9311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	racemate

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