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APOLLO-ZINC02584552

 MMsINC code: MMs00055637
Type: Neutral
Formula: C6H16O6P2
SMILES:   P(OC)(OC)(=O)CCP(OC)(OC)=O
InChI:   InChI=1/C6H16O6P2/c1-9-13(7,10-2)5-6-14(8,11-3)12-4/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.5889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.136 g/mol  logS: 0.36778  SlogP: -0.1822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434711  Sterimol/B1: 2.43665  Sterimol/B2: 3.37227  Sterimol/B3: 3.58149
  Sterimol/B4: 6.00737  Sterimol/L: 13.0362 
 
 Surface and Volume Properties
  Accessible surface: 450.454  Positive charged surface: 365.092  Negative charged surface: 85.3624  Volume: 209.625
  Hydrophobic surface: 370.319  Hydrophilic surface: 80.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.