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PUBCHEM-ZINC05998332

 MMsINC code: MMs03482376
Type: Neutral
Formula: C13H23FO10
SMILES:   FC1C(O)C(OC(OCC2OC(OC)C(O)C(O)C2O)C1O)CO
InChI:   InChI=1/C13H23FO10/c1-21-12-11(20)10(19)8(17)5(24-12)3-22-13-9(18)6(14)7(16)4(2-15)23-13/h4-13,15-20H,2-3H2,1H3/t4-,5-,6+,7+,8+,9-,10+,11-,12-,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.315 g/mol  logS: 0.67131  SlogP: -3.346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052575  Sterimol/B1: 2.3295  Sterimol/B2: 3.25568  Sterimol/B3: 3.29782
  Sterimol/B4: 8.47512  Sterimol/L: 14.8069 
 
 Surface and Volume Properties
  Accessible surface: 573.058  Positive charged surface: 442.58  Negative charged surface: 130.478  Volume: 296.625
  Hydrophobic surface: 283.157  Hydrophilic surface: 289.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.