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CHEMSTAR-ZINC03162962

 MMsINC code: MMs01085097
Type: Neutral
Formula: C6H9F6O2P
SMILES:   P(O)(=O)(CCC(F)(F)F)CCC(F)(F)F
InChI:   InChI=1/C6H9F6O2P/c7-5(8,9)1-3-15(13,14)4-2-6(10,11)12/h1-4H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=12.8796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.098 g/mol  logS: -1.58116  SlogP: 2.9312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0881248  Sterimol/B1: 3.25412  Sterimol/B2: 3.31933  Sterimol/B3: 3.44015
  Sterimol/B4: 3.56875  Sterimol/L: 13.2384 
 
 Surface and Volume Properties
  Accessible surface: 392.67  Positive charged surface: 132.415  Negative charged surface: 260.255  Volume: 173.375
  Hydrophobic surface: 113.947  Hydrophilic surface: 278.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs01085098
CHEMSTAR-ZINC03162962