(2S)-1-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]pyrrolidine-2-carboxamide

Formula:C24H22N2O8 Mutagenic:none Tumorigenic:none Reproductive Effective:low (2S)-1-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]pyrrolidine-2-carboxamide is a drug-like molecule.

MolName	(2S)-1-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]pyrrolidine-2-carboxamide
MolecularFormula	C24H22N2O8
Smiles	NC([C@H](CCC1)N1C(COc(cc1O)cc(OC=C2c(cc3)cc4c3OCCO4)c1C2=O)=O)=O
InChI	InChI=1S/C24H22N2O8/c25-24(30)16-2-1-5-26(16)21(28)12-33-14-9-17(27)22-20(10-14)34-11-15(23(22)29)13-3-4-18-19(8-13)32-7-6-31-18/h3-4,8-11,16,27H,1-2,5-7,12H2,(H2,25,30)/t16-/m0/s1
InChIK	DJGBAPQBFDDINH-INIZCTEOSA-N
TotalMolweight	466.445
Molweight	466.445
MonoisotopicMass	466.137618
CLogP	1.0192
CLogS	-3.539
H Acceptors	10
H Donors	2
TotalSurfaceArea	330.71
Relative PSA	0.33576
PolarSurfaceArea	137.62
Druglikeness	-0.20036
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Amides	2
StereoCon	this enantiomer

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1 - (2S)-1-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]pyrrolidine-2-carboxamide | 2 - (2S)-1-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]pyrrolidine-2-carboxamide

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