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NCID-ZINC01621032

 MMsINC code: MMs02268985
Type: Neutral
Formula: C8H20O5P2
SMILES:   P(OP(OCC)(OCC)=O)(=O)(CC)CC
InChI:   InChI=1/C8H20O5P2/c1-5-11-15(10,12-6-2)13-14(9,7-3)8-4/h5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-20.0035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.191 g/mol  logS: -0.79842  SlogP: 1.3616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173109  Sterimol/B1: 2.47652  Sterimol/B2: 3.47046  Sterimol/B3: 4.07745
  Sterimol/B4: 7.46021  Sterimol/L: 12.406 
 
 Surface and Volume Properties
  Accessible surface: 481.046  Positive charged surface: 323.903  Negative charged surface: 157.142  Volume: 237.375
  Hydrophobic surface: 333.874  Hydrophilic surface: 147.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.