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

Formula:C20H21N3O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
MolecularFormula	C20H21N3O6
Smiles	OC(CNC(CNC(C(Cc1ccccc1)NC(/C=C/c1ccco1)=O)=O)=O)=O
InChI	InChI=1S/C20H21N3O6/c24-17(9-8-15-7-4-10-29-15)23-16(11-14-5-2-1-3-6-14)20(28)22-12-18(25)21-13-19(26)27/h1-10,16H,11-13H2,(H,21,25)(H,22,28)(H,23,24)(H,26,27)/t16-/m0/s1
InChIK	ZDLZKMDMBBMJLI-INIZCTEOSA-N
TotalMolweight	399.402
Molweight	399.402
MonoisotopicMass	399.143037
CLogP	-0.2851
CLogS	-2.495
H Acceptors	9
H Donors	4
TotalSurfaceArea	314.72
Relative PSA	0.36143
PolarSurfaceArea	137.74
Druglikeness	-1.1111
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Amides	3
AcidicOxygens	1
StereoCon	racemate

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

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