4-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]butanoic acid

Formula:C20H20N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]butanoic acid
MolecularFormula	C20H20N2O4
Smiles	OC(CCCNC(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C20H20N2O4/c23-18(24)12-7-13-21-20(26)17(14-15-8-3-1-4-9-15)22-19(25)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2,(H,21,26)(H,22,25)(H,23,24)
InChIK	PJOGIXPQIREQTD-UHFFFAOYSA-N
TotalMolweight	352.389
Molweight	352.389
MonoisotopicMass	352.142308
CLogP	2.7539
CLogS	-3.681
H Acceptors	6
H Donors	3
TotalSurfaceArea	281.53
Relative PSA	0.2669
PolarSurfaceArea	95.5
Druglikeness	1.1117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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