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SIAL-ZINC04544858

 MMsINC code: MMs03921909
Type: Neutral
Formula: C6H11FO5
SMILES:   FCC(=O)C(O)C(O)C(O)CO
InChI:   InChI=1/C6H11FO5/c7-1-3(9)5(11)6(12)4(10)2-8/h4-6,8,10-12H,1-2H2/t4-,5-,6+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.0485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.56458  SlogP: -2.4  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13419  Sterimol/B1: 2.52172  Sterimol/B2: 2.79194  Sterimol/B3: 3.91047
  Sterimol/B4: 4.22644  Sterimol/L: 11.5632 
 
 Surface and Volume Properties
  Accessible surface: 343.707  Positive charged surface: 213.063  Negative charged surface: 130.644  Volume: 150.125
  Hydrophobic surface: 102.926  Hydrophilic surface: 240.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.