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CHEMBRIDGE-ZINC02831381

 MMsINC code: MMs00722030
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)COC
InChI:   InChI=1/C8H19O4P/c1-7(2)11-13(9,6-10-5)12-8(3)4/h7-8H,6H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.3566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -0.76836  SlogP: 1.5632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201894  Sterimol/B1: 2.27573  Sterimol/B2: 2.43042  Sterimol/B3: 4.55426
  Sterimol/B4: 7.32802  Sterimol/L: 11.5493 
 
 Surface and Volume Properties
  Accessible surface: 426.88  Positive charged surface: 310.956  Negative charged surface: 115.923  Volume: 207
  Hydrophobic surface: 310.107  Hydrophilic surface: 116.773
 
 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.