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

Formula:C14H18N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]cyclohexyl]amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]cyclohexyl]amino]-4-oxobut-2-enoic acid
MolecularFormula	C14H18N2O6
Smiles	OC(/C=C/C(NC(CCCC1)C1NC(/C=C/C(O)=O)=O)=O)=O
InChI	InChI=1S/C14H18N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10(9)16-12(18)6-8-14(21)22/h5-10H,1-4H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIK	ACOTWFMIADRKKI-UHFFFAOYSA-N
TotalMolweight	310.305
Molweight	310.305
MonoisotopicMass	310.116488
CLogP	-0.8708
CLogS	-1.474
H Acceptors	8
H Donors	4
TotalSurfaceArea	239.66
Relative PSA	0.4226
PolarSurfaceArea	132.8
Druglikeness	-2.7333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Sp3Atoms	8
Symmetricatoms	11
Amides	2
AcidicOxygens	2
StereoCon	unknown chirality

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

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