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PUBCHEM-ZINC05850980

 MMsINC code: MMs03416732
Type: Neutral
Formula: C6H11FO5
SMILES:   FCC1(OCC(O)C(O)C1O)O
InChI:   InChI=1/C6H11FO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2H2/t3-,4+,5-,6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.2137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.54849  SlogP: -2.2426  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.424437  Sterimol/B1: 2.22502  Sterimol/B2: 2.72495  Sterimol/B3: 4.52962
  Sterimol/B4: 5.35531  Sterimol/L: 8.94735 
 
 Surface and Volume Properties
  Accessible surface: 326.284  Positive charged surface: 246.595  Negative charged surface: 79.688  Volume: 144.5
  Hydrophobic surface: 139.926  Hydrophilic surface: 186.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03416733
PUBCHEM-ZINC05850980