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

Formula:C26H20NO5F Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one
MolecularFormula	C26H20NO5F
Smiles	OC(CC(/C=C/c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1Cc2cccc(F)c2)C1=O
InChI	InChI=1S/C26H20FNO5/c27-19-5-3-4-18(12-19)15-28-22-7-2-1-6-21(22)26(31,25(28)30)14-20(29)10-8-17-9-11-23-24(13-17)33-16-32-23/h1-13,31H,14-16H2/t26-/m0/s1
InChIK	XRYGKQKUHCTVHK-SANMLTNESA-N
TotalMolweight	445.445
Molweight	445.445
MonoisotopicMass	445.132552
CLogP	4.0529
CLogS	-5.929
H Acceptors	6
H Donors	1
TotalSurfaceArea	322.47
Relative PSA	0.19453
PolarSurfaceArea	76.07
Druglikeness	3.9332
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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1 - 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one | 2 - 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one

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