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PUBCHEM-ZINC04533363

 MMsINC code: MMs03130675
Type: Neutral
Formula: C6H15O5PS
SMILES:   S(=O)(=O)(CP(OCC)(OCC)=O)C
InChI:   InChI=1/C6H15O5PS/c1-4-10-12(7,11-5-2)6-13(3,8)9/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.11957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.221 g/mol  logS: -0.08247  SlogP: 0.1844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115883  Sterimol/B1: 2.38517  Sterimol/B2: 2.77982  Sterimol/B3: 3.90899
  Sterimol/B4: 7.59582  Sterimol/L: 11.9015 
 
 Surface and Volume Properties
  Accessible surface: 418.116  Positive charged surface: 255.834  Negative charged surface: 162.282  Volume: 192.75
  Hydrophobic surface: 272.996  Hydrophilic surface: 145.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.