4-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]butanoic acid

Formula:C18H17N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C18H17N2O5Br
Smiles	OC(CCCNC(/C(/NC(c1ccco1)=O)=C\c1cccc(Br)c1)=O)=O
InChI	InChI=1S/C18H17BrN2O5/c19-13-5-1-4-12(10-13)11-14(17(24)20-8-2-7-16(22)23)21-18(25)15-6-3-9-26-15/h1,3-6,9-11H,2,7-8H2,(H,20,24)(H,21,25)(H,22,23)
InChIK	XEWVHWAPHCSDDM-UHFFFAOYSA-N
TotalMolweight	421.246
Molweight	421.246
MonoisotopicMass	420.032084
CLogP	2.6678
CLogS	-4.197
H Acceptors	7
H Donors	3
TotalSurfaceArea	289.85
Relative PSA	0.30792
PolarSurfaceArea	108.64
Druglikeness	-0.5491
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	2
AcidicOxygens	1
StereoCon

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