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PUBCHEM-ZINC03159223

 MMsINC code: MMs03002973
Type: Neutral
Formula: C13H18FO4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)c1cc(F)ccc1
InChI:   InChI=1/C13H18FO4P/c1-9(2)17-19(16,18-10(3)4)13(15)11-6-5-7-12(14)8-11/h5-10H,1-4H3

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Potential Energy
Epot(MMFF94)=46.8213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.255 g/mol  logS: -3.37041  SlogP: 2.9388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108625  Sterimol/B1: 2.18515  Sterimol/B2: 2.91658  Sterimol/B3: 4.79468
  Sterimol/B4: 6.92837  Sterimol/L: 13.8452 
 
 Surface and Volume Properties
  Accessible surface: 500.569  Positive charged surface: 278.978  Negative charged surface: 221.59  Volume: 265.5
  Hydrophobic surface: 359.894  Hydrophilic surface: 140.675
 
 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.