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CHEMBRIDGE-ZINC01121640

 MMsINC code: MMs00664703
Type: Neutral
Formula: C17H14Cl2F3NO2
SMILES:   Clc1ccc(NC(=O)C(Oc2ccc(Cl)cc2)(C)C)cc1C(F)(F)F
InChI:   InChI=1/C17H14Cl2F3NO2/c1-16(2,25-12-6-3-10(18)4-7-12)15(24)23-11-5-8-14(19)13(9-11)17(20,21)22/h3-9H,1-2H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.204 g/mol  logS: -6.61124  SlogP: 6.1198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146999  Sterimol/B1: 2.38608  Sterimol/B2: 3.43343  Sterimol/B3: 5.68796
  Sterimol/B4: 8.21689  Sterimol/L: 14.7629 
 
 Surface and Volume Properties
  Accessible surface: 576.975  Positive charged surface: 216.601  Negative charged surface: 360.374  Volume: 314.125
  Hydrophobic surface: 427.665  Hydrophilic surface: 149.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.