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NCID-ZINC01678668

 MMsINC code: MMs02313371
Type: Neutral
Formula: C15H10F6O2
SMILES:   FC(F)(C(F)(F)C(F)(F)c1ccc(O)cc1)c1ccc(O)cc1
InChI:   InChI=1/C15H10F6O2/c16-13(17,9-1-5-11(22)6-2-9)15(20,21)14(18,19)10-3-7-12(23)8-4-10/h1-8,22-23H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.7888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.231 g/mol  logS: -4.51246  SlogP: 5.6598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986556  Sterimol/B1: 2.42128  Sterimol/B2: 3.5788  Sterimol/B3: 3.76017
  Sterimol/B4: 4.8234  Sterimol/L: 15.9732 
 
 Surface and Volume Properties
  Accessible surface: 491.919  Positive charged surface: 218.089  Negative charged surface: 273.831  Volume: 256.875
  Hydrophobic surface: 273.679  Hydrophilic surface: 218.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.