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PUBCHEM-ZINC05166276

 MMsINC code: MMs03218826
Type: Neutral
Formula: C4H7O6P
SMILES:   P(OC(=O)C)(OC(=O)C)(O)=O
InChI:   InChI=1/C4H7O6P/c1-3(5)9-11(7,8)10-4(2)6/h1-2H3,(H,7,8)

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Potential Energy
Epot(MMFF94)=-45.9816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.068 g/mol  logS: -0.06654  SlogP: -0.8572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646112  Sterimol/B1: 2.55693  Sterimol/B2: 2.85355  Sterimol/B3: 3.54312
  Sterimol/B4: 4.19801  Sterimol/L: 11.8977 
 
 Surface and Volume Properties
  Accessible surface: 345.483  Positive charged surface: 180.746  Negative charged surface: 164.737  Volume: 135.625
  Hydrophobic surface: 178.35  Hydrophilic surface: 167.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.