(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate

Formula:C23H17NO10 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate is not a drug-like molecule.

MolName	(2,5-dioxopyrrolidin-1-yl) 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
MolecularFormula	C23H17NO10
Smiles	Oc1cc(OCC(ON(C(CC2)=O)C2=O)=O)cc(OC=C2c(cc3)cc4c3OCCO4)c1C2=O
InChI	InChI=1S/C23H17NO10/c25-15-8-13(32-11-21(28)34-24-19(26)3-4-20(24)27)9-18-22(15)23(29)14(10-33-18)12-1-2-16-17(7-12)31-6-5-30-16/h1-2,7-10,25H,3-6,11H2
InChIK	LZSPAQFZXIZXIY-UHFFFAOYSA-N
TotalMolweight	467.385
Molweight	467.385
MonoisotopicMass	467.085249
CLogP	0.5263
CLogS	-3.718
H Acceptors	11
H Donors	1
TotalSurfaceArea	323.68
Relative PSA	0.36706
PolarSurfaceArea	137.9
Druglikeness	-24.557
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	N-acyloxy-amide
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	3
StereoCon

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1 - (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate | 2 - (2,5-dioxopyrrolidin-1-yl) 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate

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