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

Formula:C16H22N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[[4-[[[(E)-3-carboxyprop-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[[4-[[[(E)-3-carboxyprop-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4-oxobut-2-enoic acid
MolecularFormula	C16H22N2O6
Smiles	OC(/C=C/C(NCC1CCC(CNC(/C=C/C(O)=O)=O)CC1)=O)=O
InChI	InChI=1S/C16H22N2O6/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/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)
InChIK	NLXZJJUUIBJWKI-UHFFFAOYSA-N
TotalMolweight	338.359
Molweight	338.359
MonoisotopicMass	338.147788
CLogP	-0.4814
CLogS	-1.578
H Acceptors	8
H Donors	4
TotalSurfaceArea	267.18
Relative PSA	0.37907
PolarSurfaceArea	132.8
Druglikeness	1.2993
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
Sp3Atoms	10
Symmetricatoms	13
Amides	2
AcidicOxygens	2
StereoCon

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

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