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NCID-ZINC01678680

 MMsINC code: MMs02313382
Type: Neutral
Formula: C16H4F6O8
SMILES:   Fc1c(-c2c(F)c(C(O)=O)c(C(O)=O)c(F)c2F)c(F)c(F)c(C(O)=O)c1C(O
)=O
InChI:   InChI=1/C16H4F6O8/c17-7-1(9(19)11(21)5(15(27)28)3(7)13(23)24)2-8(18)4(14(25)26)6(16(29)30)12(22)10(2)20/h(H,23,24)(H,25,26)(H,27,28)(H,29,30)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.7283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.188 g/mol  logS: -5.45874  SlogP: 2.981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117341  Sterimol/B1: 3.19859  Sterimol/B2: 4.19031  Sterimol/B3: 4.32782
  Sterimol/B4: 4.85756  Sterimol/L: 15.707 
 
 Surface and Volume Properties
  Accessible surface: 565.256  Positive charged surface: 206.796  Negative charged surface: 358.186  Volume: 287.25
  Hydrophobic surface: 222.817  Hydrophilic surface: 342.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02313383
NCID-ZINC01678680