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PUBCHEM-ZINC06753381

 MMsINC code: MMs03850444
Type: Ionized
Formula: C6H11O9P-2
SMILES:   P(OC(C(O)C(O)C(O)CO)C=O)(=O)([O-])[O-]
InChI:   InChI=1/C6H13O9P/c7-1-3(9)5(10)6(11)4(2-8)15-16(12,13)14/h2-7,9-11H,1H2,(H2,12,13,14)/p-2/t3-,4-,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=0.869167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.119 g/mol  logS: 1.45899  SlogP: -5.596  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.121557  Sterimol/B1: 2.553  Sterimol/B2: 3.66527  Sterimol/B3: 3.86973
  Sterimol/B4: 4.60347  Sterimol/L: 11.4462 
 
 Surface and Volume Properties
  Accessible surface: 398.122  Positive charged surface: 195.197  Negative charged surface: 202.925  Volume: 186.625
  Hydrophobic surface: 107.864  Hydrophilic surface: 290.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs03850443
PUBCHEM-ZINC06753381