2-[[(E)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid

Formula:C20H18N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid is a drug-like molecule.

MolName	2-[[(E)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid
MolecularFormula	C20H18N2O7
Smiles	OC(CC(C(O)=O)NC(/C(/NC(c1ccccc1)=O)=C\c(cccc1)c1O)=O)=O
InChI	InChI=1S/C20H18N2O7/c23-16-9-5-4-8-13(16)10-14(21-18(26)12-6-2-1-3-7-12)19(27)22-15(20(28)29)11-17(24)25/h1-10,15,23H,11H2,(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t15-/m0/s1
InChIK	PDXQGEQJZVWYKU-HNNXBMFYSA-N
TotalMolweight	398.37
Molweight	398.37
MonoisotopicMass	398.111403
CLogP	1.0368
CLogS	-2.968
H Acceptors	9
H Donors	5
TotalSurfaceArea	296.96
Relative PSA	0.38517
PolarSurfaceArea	153.03
Druglikeness	-7.1481
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon	racemate

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1 - 2-[[(E)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid | 2 - 2-[[(E)-2-benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid

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