3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

Formula:C27H23NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
MolecularFormula	C27H23NO5
Smiles	OC(CC(/C=C/c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1CCc2ccccc2)C1=O
InChI	InChI=1S/C27H23NO5/c29-21(12-10-20-11-13-24-25(16-20)33-18-32-24)17-27(31)22-8-4-5-9-23(22)28(26(27)30)15-14-19-6-2-1-3-7-19/h1-13,16,31H,14-15,17-18H2/t27-/m0/s1
InChIK	XYPUWVRWZNQIGF-MHZLTWQESA-N
TotalMolweight	441.482
Molweight	441.482
MonoisotopicMass	441.157624
CLogP	4.3822
CLogS	-5.727
H Acceptors	6
H Donors	1
TotalSurfaceArea	329.88
Relative PSA	0.19016
PolarSurfaceArea	76.07
Druglikeness	5.5136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon	racemate

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