2-[[(E)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid

Formula:C23H19N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[(E)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C23H19N2O5F
Smiles	OC(C(Cc1ccccc1)NC(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C23H19FN2O5/c24-17-10-8-16(9-11-17)13-18(25-22(28)20-7-4-12-31-20)21(27)26-19(23(29)30)14-15-5-2-1-3-6-15/h1-13,19H,14H2,(H,25,28)(H,26,27)(H,29,30)/t19-/m0/s1
InChIK	NDGQCXPEQNYEOL-IBGZPJMESA-N
TotalMolweight	422.411
Molweight	422.411
MonoisotopicMass	422.127801
CLogP	2.9358
CLogS	-4.65
H Acceptors	7
H Donors	3
TotalSurfaceArea	322.31
Relative PSA	0.27691
PolarSurfaceArea	108.64
Druglikeness	-8.971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon	racemate

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1 - 2-[[(E)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid | 2 - 2-[[(E)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid

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