3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one

Formula:C27H23NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one is a drug-like molecule.

MolName	3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one
MolecularFormula	C27H23NO5
Smiles	OC(CC(c(cc1)cc2c1OCCO2)=O)(c(cccc1)c1N1C/C=C/c2ccccc2)C1=O
InChI	InChI=1S/C27H23NO5/c29-23(20-12-13-24-25(17-20)33-16-15-32-24)18-27(31)21-10-4-5-11-22(21)28(26(27)30)14-6-9-19-7-2-1-3-8-19/h1-13,17,31H,14-16,18H2/t27-/m0/s1
InChIK	OBHJEDBQJGLGRI-MHZLTWQESA-N
TotalMolweight	441.482
Molweight	441.482
MonoisotopicMass	441.157624
CLogP	3.9599
CLogS	-5.457
H Acceptors	6
H Donors	1
TotalSurfaceArea	329.88
Relative PSA	0.19016
PolarSurfaceArea	76.07
Druglikeness	-2.2385
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon	racemate

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1 - 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one | 2 - 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]indol-2-one

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