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AURORAFEINCHEMIE-ZINC02391294

 MMsINC code: MMs00452919
Type: Neutral
Formula: C11H26O2P2
SMILES:   P(=O)(CCCP(=O)(CC)CC)(CC)CC
InChI:   InChI=1/C11H26O2P2/c1-5-14(12,6-2)10-9-11-15(13,7-3)8-4/h5-11H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.92211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.275 g/mol  logS: -0.12459  SlogP: 2.0419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735193  Sterimol/B1: 2.73714  Sterimol/B2: 3.14164  Sterimol/B3: 3.30716
  Sterimol/B4: 5.40104  Sterimol/L: 15.6693 
 
 Surface and Volume Properties
  Accessible surface: 498.63  Positive charged surface: 327.274  Negative charged surface: 171.356  Volume: 266.875
  Hydrophobic surface: 364.401  Hydrophilic surface: 134.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.