3-[(2R)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-3-[(Z)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid

Formula:C26H18NO5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2R)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-3-[(Z)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid is a drug-like molecule.

MolName	3-[(2R)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-3-[(Z)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid
MolecularFormula	C26H18NO5F
Smiles	OC(c1cccc(N([C@@H](C(C(/C=C\c2ccccc2)=O)=C2O)c3cccc(F)c3)C2=O)c1)=O
InChI	InChI=1S/C26H18FNO5/c27-19-10-4-8-17(14-19)23-22(21(29)13-12-16-6-2-1-3-7-16)24(30)25(31)28(23)20-11-5-9-18(15-20)26(32)33/h1-15,23,30H,(H,32,33)/t23-/m1/s1
InChIK	FNJIMCGDEZLMLF-HSZRJFAPSA-N
TotalMolweight	443.429
Molweight	443.429
MonoisotopicMass	443.116902
CLogP	3.5259
CLogS	-5.03
H Acceptors	6
H Donors	2
TotalSurfaceArea	323.8
Relative PSA	0.21269
PolarSurfaceArea	94.91
Druglikeness	1.899
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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