2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]acetic acid

Formula:C17H13N2O7Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]acetic acid
MolecularFormula	C17H13N2O7Br
Smiles	OC(CNC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C17H13BrN2O7/c18-14-4-3-12(27-14)17(24)20-10(16(23)19-7-15(21)22)5-9-1-2-11-13(6-9)26-8-25-11/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,21,22)
InChIK	WXWCIXQVJLTWEB-UHFFFAOYSA-N
TotalMolweight	437.201
Molweight	437.201
MonoisotopicMass	435.990614
CLogP	1.9678
CLogS	-4.131
H Acceptors	9
H Donors	3
TotalSurfaceArea	282.59
Relative PSA	0.3866
PolarSurfaceArea	127.1
Druglikeness	-3.7806
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]acetic acid

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