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CHEMBLOCK-ZINC04481720

 MMsINC code: MMs00553451
Type: Neutral
Formula: C11H21O5P
SMILES:   P(OCC)(OCC)(=O)C1(CCC1)C(OCC)=O
InChI:   InChI=1/C11H21O5P/c1-4-14-10(12)11(8-7-9-11)17(13,15-5-2)16-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.7037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.258 g/mol  logS: -1.75533  SlogP: 1.6681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119296  Sterimol/B1: 3.62234  Sterimol/B2: 3.79981  Sterimol/B3: 4.87202
  Sterimol/B4: 6.81782  Sterimol/L: 13.574 
 
 Surface and Volume Properties
  Accessible surface: 494.364  Positive charged surface: 259.257  Negative charged surface: 107.865  Volume: 252.25
  Hydrophobic surface: 383.17  Hydrophilic surface: 111.194
 
 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.