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CHEMBRIDGE-ZINC00314170

 MMsINC code: MMs00607118
Type: Neutral
Formula: C10H9F6NO
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1ccc(NC)cc1
InChI:   InChI=1/C10H9F6NO/c1-17-7-4-2-6(3-5-7)8(18,9(11,12)13)10(14,15)16/h2-5,17-18H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.2229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.176 g/mol  logS: -3.11834  SlogP: 4.1918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110938  Sterimol/B1: 2.72585  Sterimol/B2: 3.79427  Sterimol/B3: 3.97623
  Sterimol/B4: 4.73449  Sterimol/L: 12.3739 
 
 Surface and Volume Properties
  Accessible surface: 398.898  Positive charged surface: 179.353  Negative charged surface: 219.544  Volume: 197
  Hydrophobic surface: 181.924  Hydrophilic surface: 216.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: no related molecules available.