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NCID-ZINC05722766

 MMsINC code: MMs02489589
Type: Neutral
Formula: C15H20FO5P
SMILES:   P(OCC)(OCC)(=O)\C(=C/c1cc(F)ccc1)\C(OCC)=O
InChI:   InChI=1/C15H20FO5P/c1-4-19-15(17)14(22(18,20-5-2)21-6-3)11-12-8-7-9-13(16)10-12/h7-11H,4-6H2,1-3H3/b14-11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.9209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.292 g/mol  logS: -3.63543  SlogP: 2.9256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119999  Sterimol/B1: 2.40722  Sterimol/B2: 2.93655  Sterimol/B3: 4.8501
  Sterimol/B4: 10.2149  Sterimol/L: 14.455 
 
 Surface and Volume Properties
  Accessible surface: 590.058  Positive charged surface: 370.768  Negative charged surface: 219.29  Volume: 301.25
  Hydrophobic surface: 474.134  Hydrophilic surface: 115.924
 
 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.