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PUBCHEM-ZINC05178806

 MMsINC code: MMs03221032
Type: Neutral
Formula: C4H13NO7P2
SMILES:   P(O)(O)(=O)CN(CCO)CP(O)(O)=O
InChI:   InChI=1/C4H13NO7P2/c6-2-1-5(3-13(7,8)9)4-14(10,11)12/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=21.9386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.096 g/mol  logS: 2.64215  SlogP: -3.5893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175007  Sterimol/B1: 2.51005  Sterimol/B2: 3.56323  Sterimol/B3: 4.07572
  Sterimol/B4: 5.32055  Sterimol/L: 11.8612 
 
 Surface and Volume Properties
  Accessible surface: 403.419  Positive charged surface: 249.783  Negative charged surface: 153.636  Volume: 183.5
  Hydrophobic surface: 104.523  Hydrophilic surface: 298.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  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.