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PUBCHEM-ZINC03646597

 MMsINC code: MMs03033051
Type: Neutral
Formula: C4H6FO6P
SMILES:   P(O\C(=C/CF)\C(O)=O)(O)(O)=O
InChI:   InChI=1/C4H6FO6P/c5-2-1-3(4(6)7)11-12(8,9)10/h1H,2H2,(H,6,7)(H2,8,9,10)/b3-1-

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Potential Energy
Epot(MMFF94)=-49.8332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.058 g/mol  logS: 0.0553  SlogP: -1.0365  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100908  Sterimol/B1: 2.16686  Sterimol/B2: 2.52078  Sterimol/B3: 3.26731
  Sterimol/B4: 6.42666  Sterimol/L: 9.1669 
 
 Surface and Volume Properties
  Accessible surface: 336.099  Positive charged surface: 173.847  Negative charged surface: 162.252  Volume: 138.25
  Hydrophobic surface: 53.1914  Hydrophilic surface: 282.9076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03033052
PUBCHEM-ZINC03646597