4-[(3Z)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid

Formula:C21H18NO5F Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(3Z)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid is a drug-like molecule.

MolName	4-[(3Z)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
MolecularFormula	C21H18NO5F
Smiles	OC(CCCN(C(/C(/C1=O)=C(\c2ccccc2)/O)c(cc2)ccc2F)C1=O)=O
InChI	InChI=1S/C21H18FNO5/c22-15-10-8-13(9-11-15)18-17(19(26)14-5-2-1-3-6-14)20(27)21(28)23(18)12-4-7-16(24)25/h1-3,5-6,8-11,18,26H,4,7,12H2,(H,24,25)/t18-/m1/s1
InChIK	XDTJXBPHPLNDFZ-GOSISDBHSA-N
TotalMolweight	383.374
Molweight	383.374
MonoisotopicMass	383.116902
CLogP	2.0787
CLogS	-2.777
H Acceptors	6
H Donors	2
TotalSurfaceArea	278.82
Relative PSA	0.24701
PolarSurfaceArea	94.91
Druglikeness	-1.7997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	racemate

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