2-[[(E)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]acetic acid

Formula:C22H18N2O4 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[(E)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]acetic acid
MolecularFormula	C22H18N2O4
Smiles	OC(CNC(/C(/NC(c1ccccc1)=O)=C\c1cccc2ccccc12)=O)=O
InChI	InChI=1S/C22H18N2O4/c25-20(26)14-23-22(28)19(24-21(27)16-8-2-1-3-9-16)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-13H,14H2,(H,23,28)(H,24,27)(H,25,26)
InChIK	DUAHXYSMLGOEPP-UHFFFAOYSA-N
TotalMolweight	374.395
Molweight	374.395
MonoisotopicMass	374.126658
CLogP	3.0395
CLogS	-4.747
H Acceptors	6
H Donors	3
TotalSurfaceArea	288.61
Relative PSA	0.26035
PolarSurfaceArea	95.5
Druglikeness	-1.5353
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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