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PUBCHEM-ZINC06761048

 MMsINC code: MMs03854338
Type: Neutral
Formula: C10H17FO7
SMILES:   FC1COCC(OC2OCC(O)C(O)C2O)C1O
InChI:   InChI=1/C10H17FO7/c11-4-1-16-3-6(7(4)13)18-10-9(15)8(14)5(12)2-17-10/h4-10,12-15H,1-3H2/t4-,5-,6+,7-,8-,9-,10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.237 g/mol  logS: 0.2896  SlogP: -2.0403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134997  Sterimol/B1: 2.47511  Sterimol/B2: 3.38615  Sterimol/B3: 3.69888
  Sterimol/B4: 5.30059  Sterimol/L: 13.2292 
 
 Surface and Volume Properties
  Accessible surface: 453.408  Positive charged surface: 352.265  Negative charged surface: 101.143  Volume: 220.75
  Hydrophobic surface: 237.569  Hydrophilic surface: 215.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.