(E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid

Formula:C21H18N2O6 Mutagenic:low Tumorigenic:low Reproductive Effective:none (E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid
MolecularFormula	C21H18N2O6
Smiles	OC(/C=C/C(Nc1ccc(Cc(cc2)ccc2NC(/C=C/C(O)=O)=O)cc1)=O)=O
InChI	InChI=1S/C21H18N2O6/c24-18(9-11-20(26)27)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21(28)29/h1-12H,13H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
InChIK	UEPLPNFSKRYEKO-UHFFFAOYSA-N
TotalMolweight	394.382
Molweight	394.382
MonoisotopicMass	394.116488
CLogP	1.6435
CLogS	-3.585
H Acceptors	8
H Donors	4
TotalSurfaceArea	306.4
Relative PSA	0.33055
PolarSurfaceArea	132.8
Druglikeness	1.068
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72414
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	16
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid | 2 - (E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid

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