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

Formula:C30H24N2O9 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-2-yl)propanoic acid is not a drug-like molecule.

MolName	2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-(1H-indol-2-yl)propanoic acid
MolecularFormula	C30H24N2O9
Smiles	OC(C(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)/t22-/m0/s1
InChIK	ZWZIAJINJRHTIX-QFIPXVFZSA-N
TotalMolweight	556.526
Molweight	556.526
MonoisotopicMass	556.148183
CLogP	2.3357
CLogS	-5.123
H Acceptors	11
H Donors	4
TotalSurfaceArea	399.61
Relative PSA	0.32724
PolarSurfaceArea	156.41
Druglikeness	-14.57
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	racemate

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

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