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PUBCHEM-ZINC04565646

 MMsINC code: MMs03134894
Type: Neutral
Formula: C16H20F3NO10
SMILES:   FC(F)(F)C(=O)NC1C(OC(=O)C)C(OC(OC(=O)C)C1OC(=O)C)COC(=O)C
InChI:   InChI=1/C16H20F3NO10/c1-6(21)26-5-10-12(27-7(2)22)11(20-15(25)16(17,18)19)13(28-8(3)23)14(30-10)29-9(4)24/h10-14H,5H2,1-4H3,(H,20,25)/t10-,11+,12-,13+,14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.0131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.327 g/mol  logS: -2.68043  SlogP: 0.1679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17704  Sterimol/B1: 4.05901  Sterimol/B2: 4.77061  Sterimol/B3: 6.62501
  Sterimol/B4: 7.42248  Sterimol/L: 15.6801 
 
 Surface and Volume Properties
  Accessible surface: 677.276  Positive charged surface: 353.49  Negative charged surface: 323.786  Volume: 349
  Hydrophobic surface: 404.18  Hydrophilic surface: 273.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.