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

Formula:C19H18N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]propanoic acid
MolecularFormula	C19H18N2O5
Smiles	OC(CCNC(/C(/NC(/C=C/c1ccccc1)=O)=C/c1ccco1)=O)=O
InChI	InChI=1S/C19H18N2O5/c22-17(9-8-14-5-2-1-3-6-14)21-16(13-15-7-4-12-26-15)19(25)20-11-10-18(23)24/h1-9,12-13H,10-11H2,(H,20,25)(H,21,22)(H,23,24)
InChIK	UPFWTTLKUSYAQX-UHFFFAOYSA-N
TotalMolweight	354.361
Molweight	354.361
MonoisotopicMass	354.121573
CLogP	1.8174
CLogS	-3.463
H Acceptors	7
H Donors	3
TotalSurfaceArea	283.96
Relative PSA	0.3143
PolarSurfaceArea	108.64
Druglikeness	2.1442
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
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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1 - 3-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]propanoic acid | 2 - 3-[[(Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]propanoic acid

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