3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid

Formula:C17H14N2O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C17H14N2O5Br2
Smiles	OC(CCNC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C17H14Br2N2O5/c18-11-3-1-10(2-4-11)9-12(16(24)20-8-7-15(22)23)21-17(25)13-5-6-14(19)26-13/h1-6,9H,7-8H2,(H,20,24)(H,21,25)(H,22,23)
InChIK	AXOLEEPROWWRCJ-UHFFFAOYSA-N
TotalMolweight	486.115
Molweight	486.115
MonoisotopicMass	483.926945
CLogP	3.036
CLogS	-4.524
H Acceptors	7
H Donors	3
TotalSurfaceArea	294.72
Relative PSA	0.30283
PolarSurfaceArea	108.64
Druglikeness	1.2638
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
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-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid | 2 - 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]propanoic acid

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