logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC06761097

 MMsINC code: MMs03854402
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

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=89.5846 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: 0.131524  Sterimol/B1: 2.11753  Sterimol/B2: 2.63682  Sterimol/B3: 4.30323
  Sterimol/B4: 5.20176  Sterimol/L: 13.1542 
 
 Surface and Volume Properties
  Accessible surface: 450.957  Positive charged surface: 346.036  Negative charged surface: 104.922  Volume: 221.25
  Hydrophobic surface: 233.858  Hydrophilic surface: 217.099
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.