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PUBCHEM-ZINC04097070

 MMsINC code: MMs03090244
Type: Neutral
Formula: C6H15O9P
SMILES:   P(OCC(O)C(O)C(O)C(O)CO)(O)(O)=O
InChI:   InChI=1/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(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)=-3.60313 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: 0.0645821  Sterimol/B1: 2.80162  Sterimol/B2: 3.14354  Sterimol/B3: 3.38282
  Sterimol/B4: 3.56393  Sterimol/L: 15.4383 
 
 Surface and Volume Properties
  Accessible surface: 447.64  Positive charged surface: 275.959  Negative charged surface: 171.681  Volume: 202.375
  Hydrophobic surface: 107.863  Hydrophilic surface: 339.777
 
 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


MMs03090245
PUBCHEM-ZINC04097070