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SIAL-ZINC04544517

 MMsINC code: MMs03921829
Type: Neutral
Formula: C6H11FO5
SMILES:   FCC(O)C(O)C(O)C(O)C=O
InChI:   InChI=1/C6H11FO5/c7-1-3(9)5(11)6(12)4(10)2-8/h2-6,9-12H,1H2/t3-,4+,5-,6+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.1177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.86338  SlogP: -2.4016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.109927  Sterimol/B1: 2.81989  Sterimol/B2: 3.1009  Sterimol/B3: 3.15252
  Sterimol/B4: 3.82759  Sterimol/L: 11.4342 
 
 Surface and Volume Properties
  Accessible surface: 336.662  Positive charged surface: 213.77  Negative charged surface: 122.892  Volume: 148.875
  Hydrophobic surface: 113.317  Hydrophilic surface: 223.345
 
 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: no related molecules available.