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PUBCHEM-ZINC05132034

 MMsINC code: MMs03206985
Type: Neutral
Formula: C6H15O9P
SMILES:   P(OC(C(O)C(O)CO)C(O)CO)(O)(O)=O
InChI:   InChI=1/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.01018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.151 g/mol  logS: 1.83712  SlogP: -4.5386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156378  Sterimol/B1: 2.92373  Sterimol/B2: 3.13206  Sterimol/B3: 3.60997
  Sterimol/B4: 6.22503  Sterimol/L: 12.7768 
 
 Surface and Volume Properties
  Accessible surface: 418.991  Positive charged surface: 276.751  Negative charged surface: 142.24  Volume: 201.75
  Hydrophobic surface: 106.763  Hydrophilic surface: 312.228
 
 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


MMs03206986
PUBCHEM-ZINC05132034