3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-benzyl-3-hydroxyindol-2-one

Formula:C26H21NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-benzyl-3-hydroxyindol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-benzyl-3-hydroxyindol-2-one
MolecularFormula	C26H21NO5
Smiles	OC(CC(/C=C/c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1Cc2ccccc2)C1=O
InChI	InChI=1S/C26H21NO5/c28-20(12-10-18-11-13-23-24(14-18)32-17-31-23)15-26(30)21-8-4-5-9-22(21)27(25(26)29)16-19-6-2-1-3-7-19/h1-14,30H,15-17H2/t26-/m0/s1
InChIK	AAJMWIHPPOHERT-SANMLTNESA-N
TotalMolweight	427.455
Molweight	427.455
MonoisotopicMass	427.141974
CLogP	3.9521
CLogS	-5.615
H Acceptors	6
H Donors	1
TotalSurfaceArea	316.12
Relative PSA	0.19844
PolarSurfaceArea	76.07
Druglikeness	5.2732
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon	racemate

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