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

Formula:C23H20N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile is a drug-like molecule.

MolName	4-[3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
MolecularFormula	C23H20N2O5
Smiles	N#CCCCN(C(C1(CC(/C=C/c(cc2)cc3c2OCO3)=O)O)=O)c2c1cccc2
InChI	InChI=1S/C23H20N2O5/c24-11-3-4-12-25-19-6-2-1-5-18(19)23(28,22(25)27)14-17(26)9-7-16-8-10-20-21(13-16)30-15-29-20/h1-2,5-10,13,28H,3-4,12,14-15H2/t23-/m0/s1
InChIK	HOVRWLNQDZMXOA-QHCPKHFHSA-N
TotalMolweight	404.421
Molweight	404.421
MonoisotopicMass	404.137223
CLogP	3.0947
CLogS	-5.28
H Acceptors	7
H Donors	1
TotalSurfaceArea	305.59
Relative PSA	0.24965
PolarSurfaceArea	99.86
Druglikeness	-5.0689
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Amides	1
StereoCon	racemate

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