4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoic acid

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

MolName	4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C18H17N2O5Br
Smiles	OC(CCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C18H17BrN2O5/c19-13-7-5-12(6-8-13)17(24)21-15(11-14-3-2-10-26-14)18(25)20-9-1-4-16(22)23/h2-3,5-8,10-11H,1,4,9H2,(H,20,25)(H,21,24)(H,22,23)
InChIK	UIPKGCUHWFSQGE-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	-0.69334
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
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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1 - 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoic acid | 2 - 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoic acid

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