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PUBCHEM-ZINC03651938

 MMsINC code: MMs03034313
Type: Neutral
Formula: C6H11FO5
SMILES:   FC(C(O)C(O)C(=O)CO)CO
InChI:   InChI=1/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h3,5-6,8-9,11-12H,1-2H2/t3-,5+,6+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.56458  SlogP: -1.9801  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12658  Sterimol/B1: 3.13001  Sterimol/B2: 3.25317  Sterimol/B3: 3.28574
  Sterimol/B4: 4.47322  Sterimol/L: 11.0822 
 
 Surface and Volume Properties
  Accessible surface: 352.434  Positive charged surface: 235.996  Negative charged surface: 116.439  Volume: 151.75
  Hydrophobic surface: 126.063  Hydrophilic surface: 226.371
 
 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.