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CHEMBRIDGE-ZINC03612549

 MMsINC code: MMs00753821
Type: Neutral
Formula: C13H11F6NO
SMILES:   FC(F)(F)c1cc(cc(NC(=O)C2CCC2)c1)C(F)(F)F
InChI:   InChI=1/C13H11F6NO/c14-12(15,16)8-4-9(13(17,18)19)6-10(5-8)20-11(21)7-2-1-3-7/h4-7H,1-3H2,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.225 g/mol  logS: -4.52415  SlogP: 5.0858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595656  Sterimol/B1: 3.32109  Sterimol/B2: 3.33772  Sterimol/B3: 4.45268
  Sterimol/B4: 4.96874  Sterimol/L: 13.4632 
 
 Surface and Volume Properties
  Accessible surface: 480.192  Positive charged surface: 63.7699  Negative charged surface: 251.224  Volume: 233.875
  Hydrophobic surface: 236.734  Hydrophilic surface: 243.458
 
 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.