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PUBCHEM-ZINC05376295

 MMsINC code: MMs03250454
Type: Neutral
Formula: C5H13NO7P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)N1CCOCC1
InChI:   InChI=1/C5H13NO7P2/c7-14(8,9)5(15(10,11)12)6-1-3-13-4-2-6/h5H,1-4H2,(H2,7,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=1.74675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.107 g/mol  logS: 2.12264  SlogP: -3.1828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.317941  Sterimol/B1: 2.91372  Sterimol/B2: 3.49194  Sterimol/B3: 4.32083
  Sterimol/B4: 5.06643  Sterimol/L: 10.1664 
 
 Surface and Volume Properties
  Accessible surface: 386.202  Positive charged surface: 257.373  Negative charged surface: 128.83  Volume: 188.875
  Hydrophobic surface: 158.374  Hydrophilic surface: 227.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.