[(2R)-1-[4-[7-[(2R)-2-azaniumyl-3-phenylpropanoyl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]azanium

Formula:C33H30N2O7 Mutagenic:high Tumorigenic:none Reproductive Effective:high [(2R)-1-[4-[7-[(2R)-2-azaniumyl-3-phenylpropanoyl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]azanium is not a drug-like molecule.

MolName	[(2R)-1-[4-[7-[(2R)-2-azaniumyl-3-phenylpropanoyl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]azanium
MolecularFormula	C33H30N2O7
Smiles	[NH3+][C@H](Cc1ccccc1)C(Oc(cc1)ccc1C1=COc(cc(cc2O)OC([C@@H](Cc3ccccc3)[NH3+])=O)c2C1=O)=O
InChI	InChI=1S/C33H28N2O7/c34-26(15-20-7-3-1-4-8-20)32(38)41-23-13-11-22(12-14-23)25-19-40-29-18-24(17-28(36)30(29)31(25)37)42-33(39)27(35)16-21-9-5-2-6-10-21/h1-14,17-19,26-27,36H,15-16,34-35H2/p+2/t26-,27-/m1/s1
InChIK	RXLFEWISUXVFFT-KAYWLYCHSA-P
TotalMolweight	566.608
Molweight	566.608
MonoisotopicMass	566.205303
CLogP	-3.0962
CLogS	-6.083
H Acceptors	9
H Donors	3
TotalSurfaceArea	421.33
Relative PSA	0.26388
PolarSurfaceArea	154.41
Druglikeness	-0.8991
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	42
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	2
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	10
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - [(2R)-1-[4-[7-[(2R)-2-azaniumyl-3-phenylpropanoyl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]azanium | 2 - [(2R)-1-[4-[7-[(2R)-2-azaniumyl-3-phenylpropanoyl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]azanium

Request More Details | [(2R)-1-[4-[7-[(2R)-2-azaniumyl-3-phenylpropanoyl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]azanium

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments