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PUBCHEM-ZINC06381773

 MMsINC code: MMs03696279
Type: Neutral
Formula: C5H15NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)N(CC)CC
InChI:   InChI=1/C5H15NO6P2/c1-3-6(4-2)5(13(7,8)9)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)=-15.0305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.124 g/mol  logS: 1.7597  SlogP: -2.1732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.463898  Sterimol/B1: 2.40317  Sterimol/B2: 3.49261  Sterimol/B3: 5.10637
  Sterimol/B4: 6.31655  Sterimol/L: 9.21722 
 
 Surface and Volume Properties
  Accessible surface: 387.728  Positive charged surface: 222.205  Negative charged surface: 165.524  Volume: 192.625
  Hydrophobic surface: 135.533  Hydrophilic surface: 252.195
 
 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.