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AURORAFEINCHEMIE-ZINC03957036

 MMsINC code: MMs00458752
Type: Neutral
Formula: C8H17O4P
SMILES:   P(OCCC)(OCCC)(=O)C1OC1
InChI:   InChI=1/C8H17O4P/c1-3-5-11-13(9,8-7-10-8)12-6-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.8981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.194 g/mol  logS: -0.84155  SlogP: 1.3188  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0949067  Sterimol/B1: 3.06308  Sterimol/B2: 3.5582  Sterimol/B3: 5.5417
  Sterimol/B4: 6.01445  Sterimol/L: 12.005 
 
 Surface and Volume Properties
  Accessible surface: 450.02  Positive charged surface: 293.953  Negative charged surface: 156.066  Volume: 202.25
  Hydrophobic surface: 346.419  Hydrophilic surface: 103.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.