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PUBCHEM-ZINC05189957

 MMsINC code: MMs03222063
Type: Neutral
Formula: C4H13NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)(N(C)C)C
InChI:   InChI=1/C4H13NO6P2/c1-4(5(2)3,12(6,7)8)13(9,10)11/h1-3H3,(H2,6,7,8)(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-14.027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.097 g/mol  logS: 1.41148  SlogP: -2.5633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.416127  Sterimol/B1: 1.969  Sterimol/B2: 4.47986  Sterimol/B3: 4.53561
  Sterimol/B4: 5.45219  Sterimol/L: 9.7232 
 
 Surface and Volume Properties
  Accessible surface: 358.3  Positive charged surface: 233.514  Negative charged surface: 124.786  Volume: 174.75
  Hydrophobic surface: 128.59  Hydrophilic surface: 229.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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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Ions/Tautomers related molecules: no related molecules available.