2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Formula:C25H24N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C25H24N2O5
Smiles	OC(C(Cc1ccccc1)NC(C(Cc1ccccc1)NC(/C=C/c1ccco1)=O)=O)=O
InChI	InChI=1S/C25H24N2O5/c28-23(14-13-20-12-7-15-32-20)26-21(16-18-8-3-1-4-9-18)24(29)27-22(25(30)31)17-19-10-5-2-6-11-19/h1-15,21-22H,16-17H2,(H,26,28)(H,27,29)(H,30,31)
InChIK	JAPJOLBDXOXSKE-UHFFFAOYSA-N
TotalMolweight	432.475
Molweight	432.475
MonoisotopicMass	432.168523
CLogP	2.4324
CLogS	-4.241
H Acceptors	7
H Donors	3
TotalSurfaceArea	344.01
Relative PSA	0.25944
PolarSurfaceArea	108.64
Druglikeness	-8.6784
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid | 2 - 2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

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