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PUBCHEM-ZINC05830170

 MMsINC code: MMs03405039
Type: Neutral
Formula: C3H7O6P
SMILES:   P(O)(O)(=O)CC(O)C(O)=O
InChI:   InChI=1/C3H7O6P/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-40.0198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.057 g/mol  logS: 1.28568  SlogP: -2.4606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122963  Sterimol/B1: 2.47309  Sterimol/B2: 2.53846  Sterimol/B3: 3.87761
  Sterimol/B4: 3.89128  Sterimol/L: 10.0544 
 
 Surface and Volume Properties
  Accessible surface: 313.461  Positive charged surface: 168.165  Negative charged surface: 145.296  Volume: 121.625
  Hydrophobic surface: 47.5565  Hydrophilic surface: 265.9045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03405040
PUBCHEM-ZINC05830170