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PUBCHEM-ZINC05274050

 MMsINC code: MMs03229273
Type: Ionized
Formula: C6H11O8PS-2
SMILES:   S1C(COP(=O)([O-])[O-])C(O)C(O)C(O)C1O
InChI:   InChI=1/C6H13O8PS/c7-3-2(1-14-15(11,12)13)16-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3+,4-,5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=2.51472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.186 g/mol  logS: 0.47009  SlogP: -4.722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141542  Sterimol/B1: 2.62118  Sterimol/B2: 3.15504  Sterimol/B3: 3.48507
  Sterimol/B4: 5.06187  Sterimol/L: 11.8283 
 
 Surface and Volume Properties
  Accessible surface: 388.512  Positive charged surface: 177.921  Negative charged surface: 210.591  Volume: 191.625
  Hydrophobic surface: 109.855  Hydrophilic surface: 278.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 3  Basic groups: 0
  Chiral centers: 5
 
 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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MMs03229272
PUBCHEM-ZINC05274050