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ACROSORGANICS-ZINC00056519

 MMsINC code: MMs00003195
Type: Ionized
Formula: C8F4O4-2
SMILES:   Fc1c(C(=O)[O-])c(C(=O)[O-])c(F)c(F)c1F
InChI:   InChI=1/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.076 g/mol  logS: -3.0245  SlogP: -1.03  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745526  Sterimol/B1: 2.89687  Sterimol/B2: 2.93526  Sterimol/B3: 3.51461
  Sterimol/B4: 4.93212  Sterimol/L: 8.86919 
 
 Surface and Volume Properties
  Accessible surface: 338.056  Positive charged surface: 69.8801  Negative charged surface: 268.176  Volume: 149.25
  Hydrophobic surface: 180.967  Hydrophilic surface: 157.089
 
 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:


MMs00003194
ACROSORGANICS-ZINC00056519