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PUBCHEM-ZINC05599257

 MMsINC code: MMs03319254
Type: Ionized
Formula: C6H11N2O3-
SMILES:   O=C([O-])CN(N=O)C(CC)C
InChI:   InChI=1/C6H12N2O3/c1-3-5(2)8(7-11)4-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)/p-1/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=32.0429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.165 g/mol  logS: -0.90331  SlogP: -0.4818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.396042  Sterimol/B1: 2.77202  Sterimol/B2: 4.00169  Sterimol/B3: 4.12272
  Sterimol/B4: 5.07537  Sterimol/L: 9.72949 
 
 Surface and Volume Properties
  Accessible surface: 333.712  Positive charged surface: 175.92  Negative charged surface: 157.792  Volume: 149.625
  Hydrophobic surface: 222.531  Hydrophilic surface: 111.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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MMs03319253
PUBCHEM-ZINC05599257