2-[3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxoindol-1-yl]acetamide

Formula:C21H18N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxoindol-1-yl]acetamide is a drug-like molecule.

MolName	2-[3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
MolecularFormula	C21H18N2O6
Smiles	NC(CN(C(C1(CC(/C=C/c(cc2)cc3c2OCO3)=O)O)=O)c2c1cccc2)=O
InChI	InChI=1S/C21H18N2O6/c22-19(25)11-23-16-4-2-1-3-15(16)21(27,20(23)26)10-14(24)7-5-13-6-8-17-18(9-13)29-12-28-17/h1-9,27H,10-12H2,(H2,22,25)/t21-/m0/s1
InChIK	NNQHRWPKJSNGPN-NRFANRHFSA-N
TotalMolweight	394.382
Molweight	394.382
MonoisotopicMass	394.116488
CLogP	1.2662
CLogS	-4.143
H Acceptors	8
H Donors	2
TotalSurfaceArea	282.63
Relative PSA	0.32212
PolarSurfaceArea	119.16
Druglikeness	6.3816
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	2
StereoCon	racemate

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