4-[[(Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]butanoic acid

Formula:C16H16N2O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[[(Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C16H16N2O6
Smiles	OC(CCCNC(/C(/NC(c1ccco1)=O)=C/c1ccco1)=O)=O
InChI	InChI=1S/C16H16N2O6/c19-14(20)6-1-7-17-15(21)12(10-11-4-2-8-23-11)18-16(22)13-5-3-9-24-13/h2-5,8-10H,1,6-7H2,(H,17,21)(H,18,22)(H,19,20)
InChIK	BIRGLVOCWAKBLJ-UHFFFAOYSA-N
TotalMolweight	332.311
Molweight	332.311
MonoisotopicMass	332.100838
CLogP	1.1313
CLogS	-3.045
H Acceptors	8
H Donors	3
TotalSurfaceArea	260.91
Relative PSA	0.39615
PolarSurfaceArea	121.78
Druglikeness	1.2409
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Amides	2
AcidicOxygens	1
StereoCon

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