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PUBCHEM-ZINC03638655

 MMsINC code: MMs03030509
Type: Neutral
Formula: C4H12O6P2
SMILES:   P(OC)(OP(OC)(OC)=O)(=O)C
InChI:   InChI=1/C4H12O6P2/c1-7-11(4,5)10-12(6,8-2)9-3/h1-4H3/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-26.88 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.082 g/mol  logS: 0.25586  SlogP: -0.2672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165501  Sterimol/B1: 2.17268  Sterimol/B2: 2.35318  Sterimol/B3: 4.63466
  Sterimol/B4: 5.90707  Sterimol/L: 11.0283 
 
 Surface and Volume Properties
  Accessible surface: 400.776  Positive charged surface: 297.488  Negative charged surface: 103.289  Volume: 174.875
  Hydrophobic surface: 292.99  Hydrophilic surface: 107.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.