2-[[(E)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid

Formula:C25H21N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[(E)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C25H21N2O4Br
Smiles	OC(C(Cc1ccccc1)NC(/C(/NC(c1ccccc1)=O)=C\c1cccc(Br)c1)=O)=O
InChI	InChI=1S/C25H21BrN2O4/c26-20-13-7-10-18(14-20)16-21(27-23(29)19-11-5-2-6-12-19)24(30)28-22(25(31)32)15-17-8-3-1-4-9-17/h1-14,16,22H,15H2,(H,27,29)(H,28,30)(H,31,32)/t22-/m0/s1
InChIK	QRALWESROIHAHN-QFIPXVFZSA-N
TotalMolweight	493.356
Molweight	493.356
MonoisotopicMass	492.068469
CLogP	4.3715
CLogS	-5.488
H Acceptors	6
H Donors	3
TotalSurfaceArea	344.9
Relative PSA	0.21786
PolarSurfaceArea	95.5
Druglikeness	-9.5532
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon	racemate

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1 - 2-[[(E)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid | 2 - 2-[[(E)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid

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