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

Formula:C28H22NO9 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-phenylpropanoate is not a drug-like molecule.

MolName	(2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-phenylpropanoate
MolecularFormula	C28H22NO9
Smiles	[O-]C([C@H](Cc1ccccc1)NC(COc(cc1O)cc(OC=C2c(cc3)cc4c3OCCO4)c1C2=O)=O)=O
InChI	InChI=1S/C28H23NO9/c30-21-12-18(37-15-25(31)29-20(28(33)34)10-16-4-2-1-3-5-16)13-24-26(21)27(32)19(14-38-24)17-6-7-22-23(11-17)36-9-8-35-22/h1-7,11-14,20,30H,8-10,15H2,(H,29,31)(H,33,34)/p-1/t20-/m0/s1
InChIK	UGSACCBMCOUBIJ-FQEVSTJZSA-M
TotalMolweight	516.481
Molweight	516.481
MonoisotopicMass	516.129459
CLogP	0.1663
CLogS	-4.574
H Acceptors	10
H Donors	2
TotalSurfaceArea	376.62
Relative PSA	0.31321
PolarSurfaceArea	143.45
Druglikeness	-2.8897
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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

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