(E)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid

Formula:C14H20N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid
MolecularFormula	C14H20N2O6
Smiles	OC(/C=C/C(NCCCCCCNC(/C=C/C(O)=O)=O)=O)=O
InChI	InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIK	WPUBWLUSKQXZNQ-UHFFFAOYSA-N
TotalMolweight	312.321
Molweight	312.321
MonoisotopicMass	312.132138
CLogP	-0.2772
CLogS	-1.172
H Acceptors	8
H Donors	4
TotalSurfaceArea	255.68
Relative PSA	0.39612
PolarSurfaceArea	132.8
Druglikeness	-4.7752
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.81818
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	11
Sp3Atoms	8
Symmetricatoms	11
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid | 2 - (E)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid

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