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PUBCHEM-ZINC06361551

 MMsINC code: MMs03687045
Type: Neutral
Formula: C5H11O6PS
SMILES:   S1C(COP(O)(O)=O)C(O)CC1O
InChI:   InChI=1/C5H11O6PS/c6-3-1-5(7)13-4(3)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-45.665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.177 g/mol  logS: 0.00628  SlogP: -1.7897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837511  Sterimol/B1: 3.13297  Sterimol/B2: 3.3036  Sterimol/B3: 3.43373
  Sterimol/B4: 4.75426  Sterimol/L: 12.3667 
 
 Surface and Volume Properties
  Accessible surface: 400.319  Positive charged surface: 235.905  Negative charged surface: 164.414  Volume: 174.25
  Hydrophobic surface: 118.254  Hydrophilic surface: 282.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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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Ions/Tautomers related molecules


MMs03687046
PUBCHEM-ZINC06361551