(2R)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-2-yl)propanoate

Formula:C30H23N2O9 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-2-yl)propanoate is not a drug-like molecule.

MolName	(2R)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-2-yl)propanoate
MolecularFormula	C30H23N2O9
Smiles	[O-]C([C@@H](Cc1cc(cccc2)c2[nH]1)NC(COc(cc1O)cc(OC=C2c(cc3)cc4c3OCCO4)c1C2=O)=O)=O
InChI	InChI=1S/C30H24N2O9/c33-23-12-19(40-15-27(34)32-22(30(36)37)11-18-9-17-3-1-2-4-21(17)31-18)13-26-28(23)29(35)20(14-41-26)16-5-6-24-25(10-16)39-8-7-38-24/h1-6,9-10,12-14,22,31,33H,7-8,11,15H2,(H,32,34)(H,36,37)/p-1/t22-/m1/s1
InChIK	ZWZIAJINJRHTIX-JOCHJYFZSA-M
TotalMolweight	555.518
Molweight	555.518
MonoisotopicMass	555.140358
CLogP	0.2597
CLogS	-5.123
H Acceptors	11
H Donors	3
TotalSurfaceArea	400.79
Relative PSA	0.32922
PolarSurfaceArea	159.24
Druglikeness	-2.4889
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56098
Fragments	1
Non HAtoms	41
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	11
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - (2R)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-2-yl)propanoate | 2 - (2R)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-2-yl)propanoate

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