3-[(Z)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one

Formula:C26H20NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(Z)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one is a drug-like molecule.

MolName	3-[(Z)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
MolecularFormula	C26H20NO5Cl
Smiles	OC(CC(/C=C\c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1Cc(cccc2)c2Cl)C1=O
InChI	InChI=1S/C26H20ClNO5/c27-21-7-3-1-5-18(21)15-28-22-8-4-2-6-20(22)26(31,25(28)30)14-19(29)11-9-17-10-12-23-24(13-17)33-16-32-23/h1-13,31H,14-16H2/t26-/m0/s1
InChIK	XWXQSEGLFGVRJB-SANMLTNESA-N
TotalMolweight	461.9
Molweight	461.9
MonoisotopicMass	461.103001
CLogP	4.5581
CLogS	-6.351
H Acceptors	6
H Donors	1
TotalSurfaceArea	331.54
Relative PSA	0.18921
PolarSurfaceArea	76.07
Druglikeness	5.3287
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Amides	1
StereoCon	racemate

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