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NCID-ZINC01678675

 MMsINC code: MMs02313377
Type: Ionized
Formula: C14H2F6O4-2
SMILES:   Fc1c(-c2c(F)c(F)c(cc2F)C(=O)[O-])c(F)cc(C(=O)[O-])c1F
InChI:   InChI=1/C14H4F6O4/c15-5-1-3(13(21)22)9(17)11(19)7(5)8-6(16)2-4(14(23)24)10(18)12(8)20/h1-2H,(H,21,22)(H,23,24)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.5739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.154 g/mol  logS: -6.04084  SlogP: 0.9152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649223  Sterimol/B1: 2.14131  Sterimol/B2: 2.49771  Sterimol/B3: 3.43896
  Sterimol/B4: 4.53368  Sterimol/L: 15.017 
 
 Surface and Volume Properties
  Accessible surface: 462.849  Positive charged surface: 131.773  Negative charged surface: 330.523  Volume: 234.25
  Hydrophobic surface: 285.896  Hydrophilic surface: 176.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 0
  Chiral centers: 0
 
 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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Parent related molecule:


MMs02313376
NCID-ZINC01678675