6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]hexanoic acid

Formula:C23H23N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]hexanoic acid is not a drug-like molecule.

MolName	6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C23H23N2O6Br
Smiles	OC(CCCCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C23H23BrN2O6/c24-17-8-6-16(7-9-17)22(29)26-18(23(30)25-11-3-1-2-4-21(27)28)12-15-5-10-19-20(13-15)32-14-31-19/h5-10,12-13H,1-4,11,14H2,(H,25,30)(H,26,29)(H,27,28)
InChIK	KFOFWRFWGVVFBS-UHFFFAOYSA-N
TotalMolweight	503.348
Molweight	503.348
MonoisotopicMass	502.073949
CLogP	4.4993
CLogS	-5.766
H Acceptors	8
H Donors	3
TotalSurfaceArea	347.94
Relative PSA	0.27344
PolarSurfaceArea	113.96
Druglikeness	-9.3312
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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