(E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid

Formula:C11H14N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[3-[[(E)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
MolecularFormula	C11H14N2O6
Smiles	OC(/C=C/C(NCCCNC(/C=C/C(O)=O)=O)=O)=O
InChI	InChI=1S/C11H14N2O6/c14-8(2-4-10(16)17)12-6-1-7-13-9(15)3-5-11(18)19/h2-5H,1,6-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIK	RCDMHMKCOQUIFA-UHFFFAOYSA-N
TotalMolweight	270.24
Molweight	270.24
MonoisotopicMass	270.085188
CLogP	-1.6404
CLogS	-0.362
H Acceptors	8
H Donors	4
TotalSurfaceArea	214.4
Relative PSA	0.47239
PolarSurfaceArea	132.8
Druglikeness	2.0217
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.78947
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Sp3Atoms	5
Symmetricatoms	9
Amides	2
AcidicOxygens	2
StereoCon

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

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