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

Formula:C28H25NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
MolecularFormula	C28H25NO5
Smiles	OC(CC(/C=C/c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1CCCc2ccccc2)C1=O
InChI	InChI=1S/C28H25NO5/c30-22(14-12-21-13-15-25-26(17-21)34-19-33-25)18-28(32)23-10-4-5-11-24(23)29(27(28)31)16-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-15,17,32H,6,9,16,18-19H2/t28-/m0/s1
InChIK	FEACXMXVXUFKFP-NDEPHWFRSA-N
TotalMolweight	455.509
Molweight	455.509
MonoisotopicMass	455.173274
CLogP	4.8366
CLogS	-5.997
H Acceptors	6
H Donors	1
TotalSurfaceArea	343.64
Relative PSA	0.18255
PolarSurfaceArea	76.07
Druglikeness	4.6211
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	2
Amides	1
StereoCon	racemate

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