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NCID-ZINC01603185

 MMsINC code: MMs02255925
Type: Neutral
Formula: C11H13F4O3P
SMILES:   P(OCC(F)(F)C(F)F)(OCC)(=O)c1ccccc1
InChI:   InChI=1/C11H13F4O3P/c1-2-17-19(16,9-6-4-3-5-7-9)18-8-11(14,15)10(12)13/h3-7,10H,2,8H2,1H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=51.5498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.188 g/mol  logS: -2.9939  SlogP: 3.2281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11864  Sterimol/B1: 2.18355  Sterimol/B2: 2.50034  Sterimol/B3: 4.93226
  Sterimol/B4: 8.53699  Sterimol/L: 12.6442 
 
 Surface and Volume Properties
  Accessible surface: 485.799  Positive charged surface: 225.508  Negative charged surface: 260.291  Volume: 237
  Hydrophobic surface: 303.224  Hydrophilic surface: 182.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.