4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoic acid

Formula:C23H20NO5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoic acid is a drug-like molecule.

MolName	4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoic acid
MolecularFormula	C23H20NO5F
Smiles	OC(CCCN(C(C(C(/C=C/c1ccccc1)=O)=C1O)c(cccc2)c2F)C1=O)=O
InChI	InChI=1S/C23H20FNO5/c24-17-10-5-4-9-16(17)21-20(18(26)13-12-15-7-2-1-3-8-15)22(29)23(30)25(21)14-6-11-19(27)28/h1-5,7-10,12-13,21,29H,6,11,14H2,(H,27,28)/t21-/m1/s1
InChIK	BCGJGTSOXYSSNX-OAQYLSRUSA-N
TotalMolweight	409.412
Molweight	409.412
MonoisotopicMass	409.132552
CLogP	2.5844
CLogS	-3.487
H Acceptors	6
H Donors	2
TotalSurfaceArea	305.32
Relative PSA	0.22557
PolarSurfaceArea	94.91
Druglikeness	2.2903
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	racemate

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