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

Formula:C24H18N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C24H18N2O6
Smiles	OC(c(cc1)ccc1NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C24H18N2O6/c27-22(16-4-2-1-3-5-16)26-19(12-15-6-11-20-21(13-15)32-14-31-20)23(28)25-18-9-7-17(8-10-18)24(29)30/h1-13H,14H2,(H,25,28)(H,26,27)(H,29,30)
InChIK	YFQFAGOHQUXXGD-UHFFFAOYSA-N
TotalMolweight	430.415
Molweight	430.415
MonoisotopicMass	430.116488
CLogP	4.0203
CLogS	-5.597
H Acceptors	8
H Donors	3
TotalSurfaceArea	320.27
Relative PSA	0.29706
PolarSurfaceArea	113.96
Druglikeness	2.8284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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