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

Formula:C18H16N2O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]butanoic acid is not a drug-like molecule.

MolName	4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C18H16N2O5Br2
Smiles	OC(CCCNC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C18H16Br2N2O5/c19-12-5-3-11(4-6-12)10-13(17(25)21-9-1-2-16(23)24)22-18(26)14-7-8-15(20)27-14/h3-8,10H,1-2,9H2,(H,21,25)(H,22,26)(H,23,24)
InChIK	WLFWBEBYSLUKLC-UHFFFAOYSA-N
TotalMolweight	500.142
Molweight	500.142
MonoisotopicMass	497.942595
CLogP	3.4904
CLogS	-4.794
H Acceptors	7
H Donors	3
TotalSurfaceArea	308.48
Relative PSA	0.28932
PolarSurfaceArea	108.64
Druglikeness	-1.0706
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]butanoic acid | 2 - 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]butanoic acid

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