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

Formula:C22H16N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C22H16N2O7
Smiles	OC(c1cc(NC(/C(/NC(c2ccco2)=O)=C\c(cc2)cc3c2OCO3)=O)ccc1)=O
InChI	InChI=1S/C22H16N2O7/c25-20(23-15-4-1-3-14(11-15)22(27)28)16(24-21(26)18-5-2-8-29-18)9-13-6-7-17-19(10-13)31-12-30-17/h1-11H,12H2,(H,23,25)(H,24,26)(H,27,28)
InChIK	COGNAULGWIVBOY-UHFFFAOYSA-N
TotalMolweight	420.376
Molweight	420.376
MonoisotopicMass	420.095753
CLogP	3.209
CLogS	-5.279
H Acceptors	9
H Donors	3
TotalSurfaceArea	309.96
Relative PSA	0.35246
PolarSurfaceArea	127.1
Druglikeness	2.8262
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Amides	2
AcidicOxygens	1
StereoCon

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