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SIAL-ZINC04521182

 MMsINC code: MMs03916523
Type: Neutral
Formula: C2H8O6P2
SMILES:   P(OP(OC)(O)=O)(O)(=O)C
InChI:   InChI=1/C2H8O6P2/c1-7-10(5,6)8-9(2,3)4/h1-2H3,(H,3,4)(H,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-71.3949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.028 g/mol  logS: 0.94622  SlogP: -1.5754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859085  Sterimol/B1: 2.67837  Sterimol/B2: 3.07033  Sterimol/B3: 3.58711
  Sterimol/B4: 3.66643  Sterimol/L: 10.8942 
 
 Surface and Volume Properties
  Accessible surface: 341.318  Positive charged surface: 202.475  Negative charged surface: 138.843  Volume: 134
  Hydrophobic surface: 141.027  Hydrophilic surface: 200.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.