(E)-4-[2-[2-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate

Formula:C20H14N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-[2-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[2-[2-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
MolecularFormula	C20H14N2O6
Smiles	[O-]C(/C=C/C(Nc(cccc1)c1-c(cccc1)c1NC(/C=C/C([O-])=O)=O)=O)=O
InChI	InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-7-3-1-5-13(15)14-6-2-4-8-16(14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/p-2
InChIK	MJBKJMRZCXDVGX-UHFFFAOYSA-L
TotalMolweight	378.339
Molweight	378.339
MonoisotopicMass	378.085188
CLogP	-2.6652
CLogS	-3.96
H Acceptors	8
H Donors	2
TotalSurfaceArea	295
Relative PSA	0.35132
PolarSurfaceArea	138.46
Druglikeness	-0.13705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	14
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[2-[2-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate | 2 - (E)-4-[2-[2-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate

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