3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid

Formula:C17H16N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C17H16N2O5
Smiles	OC(CCNC(/C(/NC(c1ccccc1)=O)=C/c1ccco1)=O)=O
InChI	InChI=1S/C17H16N2O5/c20-15(21)8-9-18-17(23)14(11-13-7-4-10-24-13)19-16(22)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,23)(H,19,22)(H,20,21)
InChIK	PBFJLSHCLMTPQX-UHFFFAOYSA-N
TotalMolweight	328.323
Molweight	328.323
MonoisotopicMass	328.105923
CLogP	1.4882
CLogS	-3.093
H Acceptors	7
H Donors	3
TotalSurfaceArea	257.46
Relative PSA	0.34666
PolarSurfaceArea	108.64
Druglikeness	3.3828
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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