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PUBCHEM-ZINC04521602

 MMsINC code: MMs03127850
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OC1C(O)C(O)C(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4+,5-,6+

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Potential Energy
Epot(MMFF94)=-7.48854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.68828  SlogP: -4.7878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227574  Sterimol/B1: 3.47086  Sterimol/B2: 3.57563  Sterimol/B3: 4.22933
  Sterimol/B4: 4.80978  Sterimol/L: 10.6516 
 
 Surface and Volume Properties
  Accessible surface: 402.862  Positive charged surface: 263.18  Negative charged surface: 139.681  Volume: 187.875
  Hydrophobic surface: 79.4658  Hydrophilic surface: 323.3962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03127851
PUBCHEM-ZINC04521602