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

Formula:C23H19N2O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[(2-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[(E)-2-[(2-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C23H19N2O5Br
Smiles	OC(C(Cc1ccccc1)NC(/C(/NC(c(cccc1)c1Br)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C23H19BrN2O5/c24-18-11-5-4-10-17(18)21(27)25-19(14-16-9-6-12-31-16)22(28)26-20(23(29)30)13-15-7-2-1-3-8-15/h1-12,14,20H,13H2,(H,25,27)(H,26,28)(H,29,30)/t20-/m0/s1
InChIK	ZUEXLARNEGCILM-FQEVSTJZSA-N
TotalMolweight	483.317
Molweight	483.317
MonoisotopicMass	482.047734
CLogP	3.5602
CLogS	-5.17
H Acceptors	7
H Donors	3
TotalSurfaceArea	334.59
Relative PSA	0.26674
PolarSurfaceArea	108.64
Druglikeness	-9.5628
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon	racemate

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

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