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

Formula:C18H17N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid
MolecularFormula	C18H17N2O5Br
Smiles	OC(CCCNC(/C(/NC(c(o1)ccc1Br)=O)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C18H17BrN2O5/c19-15-9-8-14(26-15)18(25)21-13(11-12-5-2-1-3-6-12)17(24)20-10-4-7-16(22)23/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,24)(H,21,25)(H,22,23)
InChIK	GZKPHAZWORDVLM-UHFFFAOYSA-N
TotalMolweight	421.246
Molweight	421.246
MonoisotopicMass	420.032084
CLogP	2.7652
CLogS	-3.96
H Acceptors	7
H Donors	3
TotalSurfaceArea	289.85
Relative PSA	0.30792
PolarSurfaceArea	108.64
Druglikeness	-1.0706
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
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
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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