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PUBCHEM-ZINC05113690

 MMsINC code: MMs03201862
Type: Neutral
Formula: C2H9NO7P2
SMILES:   P(O)(O)(=O)NCCOP(O)(O)=O
InChI:   InChI=1/C2H9NO7P2/c4-11(5,6)3-1-2-10-12(7,8)9/h1-2H2,(H2,7,8,9)(H3,3,4,5,6)

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Potential Energy
Epot(MMFF94)=-150.327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.042 g/mol  logS: 1.79665  SlogP: -3.3624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105608  Sterimol/B1: 2.48749  Sterimol/B2: 2.57738  Sterimol/B3: 3.74081
  Sterimol/B4: 4.56284  Sterimol/L: 11.5274 
 
 Surface and Volume Properties
  Accessible surface: 379.287  Positive charged surface: 207.3  Negative charged surface: 171.987  Volume: 150.125
  Hydrophobic surface: 66.07  Hydrophilic surface: 313.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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


MMs03201863
PUBCHEM-ZINC05113690