Mrv1652311151623332D          

 14 14  0  0  0  0            999 V2000
    0.7226   -0.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122   -0.1352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677   -0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8424   -1.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.3496    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    0.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6592    1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737    0.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6592    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842    0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  2  1  0  0  0  0
  3  5  2  0  0  0  0
  6 13  1  0  0  0  0
  6  9  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13145

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][N]([H])([H])[Pt]1(OCC(=O)O1)[N]([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C2H3O3.2H3N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);2*1H3;/q-1;;;+2/p-1

> <INCHI_KEY>
GYAVMUDJCHAASE-UHFFFAOYSA-M

> <FORMULA>
C2H8N2O3Pt

> <MOLECULAR_WEIGHT>
303.181

> <EXACT_MASS>
303.018284

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.4960298484508

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2-diamino-1,3-dioxa-2-platinacyclopentan-4-one

> <ALOGPS_LOGP>
-0.84

> <ALOGPS_LOGS>
-0.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
90.81

> <JCHEM_REFRACTIVITY>
43.2337

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.38e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2-diamino-1,3-dioxa-2-platinacyclopentan-4-one

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13145

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Nedaplatin

> <SYNONYMS>
(glycolato-O,O')diammineplatinum(II); CDGP; cis-Diammine (glycolato)platinum; cis-diammine(glycolato)platinum; cis-Diammine(glycolato)platinum(II); Nedaplatin

> <INTERNATIONAL_BRANDS>
Aqupla

$$$$