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

Formula:C20H20N2O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]hexanoic acid is not a drug-like molecule.

MolName	6-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C20H20N2O5Br2
Smiles	OC(CCCCCNC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C20H20Br2N2O5/c21-14-7-5-13(6-8-14)12-15(24-20(28)16-9-10-17(22)29-16)19(27)23-11-3-1-2-4-18(25)26/h5-10,12H,1-4,11H2,(H,23,27)(H,24,28)(H,25,26)
InChIK	JDTJHAXFFLOOHM-UHFFFAOYSA-N
TotalMolweight	528.196
Molweight	528.196
MonoisotopicMass	525.973895
CLogP	4.3992
CLogS	-5.334
H Acceptors	7
H Donors	3
TotalSurfaceArea	336
Relative PSA	0.26563
PolarSurfaceArea	108.64
Druglikeness	-9.7428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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