Mrv1909 03042004082D          

 11  8  0  0  0  0            999 V2000
    2.0696   -0.3580    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278   -0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -1.0740    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2376    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278    1.0740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0696   -0.3580    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2417   -0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -1.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417    1.0740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  3   1   2   4  -1   7  -1
M  END
> <DATABASE_ID>
DB11509

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cu++].NCC([O-])=O.NCC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H5NO2.Cu/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2

> <INCHI_KEY>
VVYPIVJZLVJPGU-UHFFFAOYSA-L

> <FORMULA>
C4H8CuN2O4

> <MOLECULAR_WEIGHT>
211.664

> <EXACT_MASS>
210.978005

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.0056967698521620536

> <JCHEM_AVERAGE_POLARIZABILITY>
6.245807163205068

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) bis(2-aminoacetate)

> <ALOGPS_LOGP>
-1.46

> <JCHEM_LOGP>
-3.409459573132419

> <ALOGPS_LOGS>
-0.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3074568824727444

> <JCHEM_PKA_STRONGEST_BASIC>
9.240341660583645

> <JCHEM_POLAR_SURFACE_AREA>
66.14999999999999

> <JCHEM_REFRACTIVITY>
26.840500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.89e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,4'-dihydroxy-10,10'-dioxo-5,5'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11509

> <DRUG_GROUPS>
vet_approved

> <GENERIC_NAME>
Cupric glycinate

> <SYNONYMS>
Copper glycinate; Copper(II) biglycinate; Copper(II) diglycinate; Copper(II) glycinate; Cupric aminoacetate; Cupric glycinate

$$$$