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PUBCHEM-ZINC05113692

 MMsINC code: MMs03201866
Type: Neutral
Formula: C2H8O8P2
SMILES:   P(OCCOP(O)(O)=O)(O)(O)=O
InChI:   InChI=1/C2H8O8P2/c3-11(4,5)9-1-2-10-12(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-136.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.026 g/mol  logS: 1.23938  SlogP: -2.9354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836373  Sterimol/B1: 2.39651  Sterimol/B2: 3.27387  Sterimol/B3: 3.89647
  Sterimol/B4: 4.65049  Sterimol/L: 11.3933 
 
 Surface and Volume Properties
  Accessible surface: 381.252  Positive charged surface: 205.26  Negative charged surface: 175.992  Volume: 145.625
  Hydrophobic surface: 75.9151  Hydrophilic surface: 305.3369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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


MMs03201867
PUBCHEM-ZINC05113692