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ALFAAESAR-ZINC03953973

 MMsINC code: MMs00024452
Type: Neutral
Formula: C2H8O6P2
SMILES:   P(O)(O)(=O)CCP(O)(O)=O
InChI:   InChI=1/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-93.6268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.028 g/mol  logS: 1.7485  SlogP: -2.7986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135643  Sterimol/B1: 2.42218  Sterimol/B2: 2.95303  Sterimol/B3: 3.47681
  Sterimol/B4: 3.51544  Sterimol/L: 11.0532 
 
 Surface and Volume Properties
  Accessible surface: 335.89  Positive charged surface: 172.273  Negative charged surface: 163.618  Volume: 130.5
  Hydrophobic surface: 60.8956  Hydrophilic surface: 274.9944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.