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PUBCHEM-ZINC05411309

 MMsINC code: MMs03260420
Type: Ionized
Formula: C3H6FO5P-2
SMILES:   P(OCC(O)CF)(=O)([O-])[O-]
InChI:   InChI=1/C3H8FO5P/c4-1-3(5)2-9-10(6,7)8/h3,5H,1-2H2,(H2,6,7,8)/p-2/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.18539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.048 g/mol  logS: 0.56023  SlogP: -2.9081  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.172876  Sterimol/B1: 2.51672  Sterimol/B2: 2.85511  Sterimol/B3: 3.85408
  Sterimol/B4: 4.11929  Sterimol/L: 9.95916 
 
 Surface and Volume Properties
  Accessible surface: 304.997  Positive charged surface: 127.493  Negative charged surface: 177.504  Volume: 117.875
  Hydrophobic surface: 97.499  Hydrophilic surface: 207.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs03260419
PUBCHEM-ZINC05411309