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CHEMBRIDGE-ZINC00316328

 MMsINC code: MMs00607665
Type: Neutral
Formula: C13H13F6NO
SMILES:   FC(F)(F)c1cc(cc(NC(=O)CC(C)C)c1)C(F)(F)F
InChI:   InChI=1/C13H13F6NO/c1-7(2)3-11(21)20-10-5-8(12(14,15)16)4-9(6-10)13(17,18)19/h4-7H,3H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.241 g/mol  logS: -4.93964  SlogP: 5.3318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665623  Sterimol/B1: 2.67093  Sterimol/B2: 3.97095  Sterimol/B3: 4.50936
  Sterimol/B4: 5.08898  Sterimol/L: 14.5158 
 
 Surface and Volume Properties
  Accessible surface: 498.185  Positive charged surface: 204.419  Negative charged surface: 293.766  Volume: 245.125
  Hydrophobic surface: 216.603  Hydrophilic surface: 281.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.