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PUBCHEM-ZINC05851251

 MMsINC code: MMs03416867
Type: Ionized
Formula: C4H9N2O5P-2
SMILES:   P(OC(N(N=O)CC)C)(=O)([O-])[O-]
InChI:   InChI=1/C4H11N2O5P/c1-3-6(5-7)4(2)11-12(8,9)10/h4H,3H2,1-2H3,(H2,8,9,10)/p-2/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-14.9141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.099 g/mol  logS: -0.05406  SlogP: -1.8892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.287072  Sterimol/B1: 2.1194  Sterimol/B2: 3.55739  Sterimol/B3: 4.2637
  Sterimol/B4: 5.03773  Sterimol/L: 9.01124 
 
 Surface and Volume Properties
  Accessible surface: 350.059  Positive charged surface: 147.662  Negative charged surface: 202.397  Volume: 151.5
  Hydrophobic surface: 196.07  Hydrophilic surface: 153.989
 
 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:


MMs03416866
PUBCHEM-ZINC05851251