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

Formula:C25H21N3O9 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-imidazol-5-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-imidazol-5-yl)propanoic acid
MolecularFormula	C25H21N3O9
Smiles	OC(C(Cc1cnc[nH]1)NC(COc(cc1O)cc(OC=C2c(cc3)cc4c3OCCO4)c1C2=O)=O)=O
InChI	InChI=1S/C25H21N3O9/c29-18-7-15(36-11-22(30)28-17(25(32)33)6-14-9-26-12-27-14)8-21-23(18)24(31)16(10-37-21)13-1-2-19-20(5-13)35-4-3-34-19/h1-2,5,7-10,12,17,29H,3-4,6,11H2,(H,26,27)(H,28,30)(H,32,33)/t17-/m0/s1
InChIK	FULCZRFRCOZVKU-KRWDZBQOSA-N
TotalMolweight	507.454
Molweight	507.454
MonoisotopicMass	507.127782
CLogP	0.2861
CLogS	-3.413
H Acceptors	12
H Donors	4
TotalSurfaceArea	363.77
Relative PSA	0.38964
PolarSurfaceArea	169.3
Druglikeness	-14.366
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	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-imidazol-5-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-imidazol-5-yl)propanoic acid

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