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

Formula:C17H15N2O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C17H15N2O5Br
Smiles	OC(CCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C17H15BrN2O5/c18-12-5-3-11(4-6-12)16(23)20-14(10-13-2-1-9-25-13)17(24)19-8-7-15(21)22/h1-6,9-10H,7-8H2,(H,19,24)(H,20,23)(H,21,22)
InChIK	ZUSKCMDCNVDSMJ-UHFFFAOYSA-N
TotalMolweight	407.219
Molweight	407.219
MonoisotopicMass	406.016434
CLogP	2.2134
CLogS	-3.927
H Acceptors	7
H Donors	3
TotalSurfaceArea	276.09
Relative PSA	0.32326
PolarSurfaceArea	108.64
Druglikeness	1.5928
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid | 2 - 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid

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