2-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]acetic acid

Formula:C23H18N3O6Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]acetic acid
MolecularFormula	C23H18N3O6Cl
Smiles	OC(CNC(c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c(cccc1)c1Cl)=O)=O)=O
InChI	InChI=1S/C23H18ClN3O6/c24-17-5-2-1-4-15(17)12-18(27-23(32)19-6-3-11-33-19)22(31)26-16-9-7-14(8-10-16)21(30)25-13-20(28)29/h1-12H,13H2,(H,25,30)(H,26,31)(H,27,32)(H,28,29)
InChIK	GEYSXSPAMBBUIT-UHFFFAOYSA-N
TotalMolweight	467.864
Molweight	467.864
MonoisotopicMass	467.088414
CLogP	2.7873
CLogS	-5.071
H Acceptors	9
H Donors	4
TotalSurfaceArea	348.09
Relative PSA	0.32678
PolarSurfaceArea	137.74
Druglikeness	-1.4613
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	3
AcidicOxygens	1
StereoCon

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1 - 2-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]acetic acid | 2 - 2-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]acetic acid

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