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PUBCHEM-ZINC05442042

 MMsINC code: MMs03269962
Type: Neutral
Formula: C5H15NO6P2
SMILES:   P(O)(O)(=O)CN(C(C)C)CP(O)(O)=O
InChI:   InChI=1/C5H15NO6P2/c1-5(2)6(3-13(7,8)9)4-14(10,11)12/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-3.38704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.124 g/mol  logS: 1.78519  SlogP: -2.1732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276433  Sterimol/B1: 2.37954  Sterimol/B2: 2.52971  Sterimol/B3: 4.79146
  Sterimol/B4: 6.50463  Sterimol/L: 10.6293 
 
 Surface and Volume Properties
  Accessible surface: 404.068  Positive charged surface: 232.094  Negative charged surface: 171.974  Volume: 194.125
  Hydrophobic surface: 126.93  Hydrophilic surface: 277.138
 
 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.