(E)-4-[benzyl-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoate

Formula:C21H16N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[benzyl-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[benzyl-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoate
MolecularFormula	C21H16N2O5F
Smiles	[O-]C(/C=C/C(N(Cc1ccccc1)[C@@H](CC(N1c(cc2)ccc2F)=O)C1=O)=O)=O
InChI	InChI=1S/C21H17FN2O5/c22-15-6-8-16(9-7-15)24-19(26)12-17(21(24)29)23(18(25)10-11-20(27)28)13-14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H,27,28)/p-1/t17-/m1/s1
InChIK	LRYKGSVLPVTPSC-QGZVFWFLSA-M
TotalMolweight	395.365
Molweight	395.365
MonoisotopicMass	395.104326
CLogP	-0.7338
CLogS	-3.239
H Acceptors	7
TotalSurfaceArea	291.52
Relative PSA	0.25226
PolarSurfaceArea	97.82
Druglikeness	2.3556
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon	this enantiomer

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1 - (E)-4-[benzyl-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoate | 2 - (E)-4-[benzyl-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoate

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