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

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

MolName	(E)-4-[4-[4-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
MolecularFormula	C20H14N2O6
Smiles	[O-]C(/C=C/C(Nc(cc1)ccc1-c(cc1)ccc1NC(/C=C/C([O-])=O)=O)=O)=O
InChI	InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)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	FTLRWRKPUWMOMS-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	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.71429
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	16
Amides	2
AcidicOxygens	2
StereoCon

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