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

Formula:C20H16NO5F Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[(3Z)-2-(3-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid is a drug-like molecule.

MolName	3-[(3Z)-2-(3-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid
MolecularFormula	C20H16NO5F
Smiles	OC(CCN(C(/C(/C1=O)=C(\c2ccccc2)/O)c2cccc(F)c2)C1=O)=O
InChI	InChI=1S/C20H16FNO5/c21-14-8-4-7-13(11-14)17-16(18(25)12-5-2-1-3-6-12)19(26)20(27)22(17)10-9-15(23)24/h1-8,11,17,25H,9-10H2,(H,23,24)/t17-/m1/s1
InChIK	NRJOKSPGTGYSKY-QGZVFWFLSA-N
TotalMolweight	369.347
Molweight	369.347
MonoisotopicMass	369.101252
CLogP	1.6243
CLogS	-2.507
H Acceptors	6
H Donors	2
TotalSurfaceArea	265.06
Relative PSA	0.25983
PolarSurfaceArea	94.91
Druglikeness	-0.81185
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	racemate

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