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CHEMBLOCK-ZINC04342447

 MMsINC code: MMs00547393
Type: Neutral
Formula: C2H6O6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)=C
InChI:   InChI=1/C2H6O6P2/c1-2(9(3,4)5)10(6,7)8/h1H2,(H2,3,4,5)(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-107.652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.012 g/mol  logS: 1.13076  SlogP: -2.3274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21911  Sterimol/B1: 2.097  Sterimol/B2: 3.23736  Sterimol/B3: 3.24368
  Sterimol/B4: 4.92275  Sterimol/L: 9.87471 
 
 Surface and Volume Properties
  Accessible surface: 322.89  Positive charged surface: 147.889  Negative charged surface: 175.001  Volume: 125.25
  Hydrophobic surface: 26.6533  Hydrophilic surface: 296.2367
 
 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.