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PUBCHEM-ZINC06021078

 MMsINC code: MMs03496303
Type: Ionized
Formula: C3H7N2O5P-2
SMILES:   P(OC(N(N=O)C)C)(=O)([O-])[O-]
InChI:   InChI=1/C3H9N2O5P/c1-3(5(2)4-6)10-11(7,8)9/h3H,1-2H3,(H2,7,8,9)/p-2/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-13.5477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.072 g/mol  logS: 0.27315  SlogP: -2.2793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205199  Sterimol/B1: 2.02012  Sterimol/B2: 2.60612  Sterimol/B3: 3.53397
  Sterimol/B4: 5.95147  Sterimol/L: 9.64374 
 
 Surface and Volume Properties
  Accessible surface: 323.294  Positive charged surface: 133.723  Negative charged surface: 189.571  Volume: 133.25
  Hydrophobic surface: 182.049  Hydrophilic surface: 141.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 3  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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Parent related molecule:


MMs03496302
PUBCHEM-ZINC06021078