2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]butanedioic acid

Formula:C20H18N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]butanedioic acid is a drug-like molecule.

MolName	2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]butanedioic acid
MolecularFormula	C20H18N2O6
Smiles	OC(CC(C(O)=O)NC(/C(/NC(c1ccccc1)=O)=C/c1ccccc1)=O)=O
InChI	InChI=1S/C20H18N2O6/c23-17(24)12-16(20(27)28)22-19(26)15(11-13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-11,16H,12H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t16-/m0/s1
InChIK	PCZOGAZDIREAKS-INIZCTEOSA-N
TotalMolweight	382.371
Molweight	382.371
MonoisotopicMass	382.116488
CLogP	1.3825
CLogS	-3.264
H Acceptors	8
H Donors	4
TotalSurfaceArea	290.61
Relative PSA	0.34851
PolarSurfaceArea	132.8
Druglikeness	-7.1481
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon	racemate

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1 - 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]butanedioic acid | 2 - 2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]butanedioic acid

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