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PUBCHEM-ZINC06072526

 MMsINC code: MMs03525372
Type: Neutral
Formula: C4H5FO5
SMILES:   FC(C(O)C(O)=O)C(O)=O
InChI:   InChI=1/C4H5FO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,(H,7,8)(H,9,10)/t1-,2+/m1/s1

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Potential Energy
Epot(MMFF94)=17.8799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.077 g/mol  logS: 0.29663  SlogP: -0.7255  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135384  Sterimol/B1: 2.56951  Sterimol/B2: 3.14116  Sterimol/B3: 3.35303
  Sterimol/B4: 3.72819  Sterimol/L: 9.79024 
 
 Surface and Volume Properties
  Accessible surface: 289.89  Positive charged surface: 146.444  Negative charged surface: 143.446  Volume: 107.875
  Hydrophobic surface: 30.3216  Hydrophilic surface: 259.5684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03525373
PUBCHEM-ZINC06072526