3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]benzoic acid

Formula:C24H17N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C24H17N2O6Br
Smiles	OC(c1cccc(NC(/C(/NC(c(cc2)ccc2Br)=O)=C\c(cc2)cc3c2OCO3)=O)c1)=O
InChI	InChI=1S/C24H17BrN2O6/c25-17-7-5-15(6-8-17)22(28)27-19(10-14-4-9-20-21(11-14)33-13-32-20)23(29)26-18-3-1-2-16(12-18)24(30)31/h1-12H,13H2,(H,26,29)(H,27,28)(H,30,31)
InChIK	CFOTZDPHOSPKKA-UHFFFAOYSA-N
TotalMolweight	509.311
Molweight	509.311
MonoisotopicMass	508.026999
CLogP	4.7455
CLogS	-6.431
H Acceptors	8
H Donors	3
TotalSurfaceArea	338.9
Relative PSA	0.28073
PolarSurfaceArea	113.96
Druglikeness	1.0384
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]benzoic acid | 2 - 3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]benzoic acid

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