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PUBCHEM-ZINC05760932

 MMsINC code: MMs03374157
Type: Neutral
Formula: C8H20O7P2
SMILES:   P(OC(C)C)(OC)(OP(OC(C)C)(OC)=O)=O
InChI:   InChI=1/C8H20O7P2/c1-7(2)13-16(9,11-5)15-17(10,12-6)14-8(3)4/h7-8H,1-6H3/t16-,17+

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Potential Energy
Epot(MMFF94)=-35.169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.189 g/mol  logS: -1.30754  SlogP: 1.2216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660764  Sterimol/B1: 2.09703  Sterimol/B2: 3.29352  Sterimol/B3: 4.03454
  Sterimol/B4: 7.26362  Sterimol/L: 14.6142 
 
 Surface and Volume Properties
  Accessible surface: 506.726  Positive charged surface: 333.339  Negative charged surface: 173.387  Volume: 250.75
  Hydrophobic surface: 327.118  Hydrophilic surface: 179.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.