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PUBCHEM-ZINC05851459

 MMsINC code: MMs03416979
Type: Neutral
Formula: C10H17FO8
SMILES:   FC1C(O)C(OC2OCC(O)C(O)C2O)COC1O
InChI:   InChI=1/C10H17FO8/c11-5-7(14)4(2-17-9(5)16)19-10-8(15)6(13)3(12)1-18-10/h3-10,12-16H,1-2H2/t3-,4-,5-,6+,7+,8-,9+,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.2715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.236 g/mol  logS: 0.61141  SlogP: -2.7219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106619  Sterimol/B1: 2.56332  Sterimol/B2: 2.68526  Sterimol/B3: 4.51014
  Sterimol/B4: 5.60955  Sterimol/L: 13.1908 
 
 Surface and Volume Properties
  Accessible surface: 466.126  Positive charged surface: 336.022  Negative charged surface: 130.104  Volume: 228.75
  Hydrophobic surface: 190.605  Hydrophilic surface: 275.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.