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

Formula:C16H14N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[[4-[[[(E)-3-carboxylatoprop-2-enoyl]amino]methyl]phenyl]methylamino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[[4-[[[(E)-3-carboxylatoprop-2-enoyl]amino]methyl]phenyl]methylamino]-4-oxobut-2-enoate
MolecularFormula	C16H14N2O6
Smiles	[O-]C(/C=C/C(NCc1ccc(CNC(/C=C/C([O-])=O)=O)cc1)=O)=O
InChI	InChI=1S/C16H16N2O6/c19-13(5-7-15(21)22)17-9-11-1-2-12(4-3-11)10-18-14(20)6-8-16(23)24/h1-8H,9-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/p-2
InChIK	WCZYSQMJODITDX-UHFFFAOYSA-L
TotalMolweight	330.295
Molweight	330.295
MonoisotopicMass	330.085188
CLogP	-4.9056
CLogS	-1.506
H Acceptors	8
H Donors	2
TotalSurfaceArea	262.76
Relative PSA	0.39443
PolarSurfaceArea	138.46
Druglikeness	0.37632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	13
Amides	2
AcidicOxygens	2
StereoCon

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

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