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CHEMBRIDGE-ZINC02277233

 MMsINC code: MMs00705902
Type: Neutral
Formula: C11H16FO4P
SMILES:   P(OCC)(OCC)(=O)C(O)c1ccccc1F
InChI:   InChI=1/C11H16FO4P/c1-3-15-17(14,16-4-2)11(13)9-7-5-6-8-10(9)12/h5-8,11,13H,3-4H2,1-2H3/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.9406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.217 g/mol  logS: -2.00687  SlogP: 2.108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135342  Sterimol/B1: 2.11677  Sterimol/B2: 3.26253  Sterimol/B3: 4.33501
  Sterimol/B4: 7.64023  Sterimol/L: 13.7565 
 
 Surface and Volume Properties
  Accessible surface: 478.39  Positive charged surface: 297.853  Negative charged surface: 180.537  Volume: 234.625
  Hydrophobic surface: 370.081  Hydrophilic surface: 108.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.