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PUBCHEM-ZINC05131868

 MMsINC code: MMs03206774
Type: Neutral
Formula: C6H10F2O5
SMILES:   FC1(F)OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C6H10F2O5/c7-6(8)5(12)4(11)3(10)2(1-9)13-6/h2-5,9-12H,1H2/t2-,3-,4+,5-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.4282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.137 g/mol  logS: 0.16884  SlogP: -1.5271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12356  Sterimol/B1: 2.68427  Sterimol/B2: 3.23319  Sterimol/B3: 4.25185
  Sterimol/B4: 4.37745  Sterimol/L: 10.3884 
 
 Surface and Volume Properties
  Accessible surface: 345.093  Positive charged surface: 211.679  Negative charged surface: 133.414  Volume: 147.5
  Hydrophobic surface: 95.4018  Hydrophilic surface: 249.6912
 
 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


MMs03206775
PUBCHEM-ZINC05131868