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CHEMDIV-ZINC01410038

 MMsINC code: MMs00865593
Type: Neutral
Formula: C22H16F3NO4
SMILES:   FC(F)(F)C1=CC(Oc2c1ccc(N1C(=O)C(CC1=O)Cc1ccc(cc1)C)c2)=O
InChI:   InChI=1/C22H16F3NO4/c1-12-2-4-13(5-3-12)8-14-9-19(27)26(21(14)29)15-6-7-16-17(22(23,24)25)11-20(28)30-18(16)10-15/h2-7,10-11,14H,8-9H2,1H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.367 g/mol  logS: -6.43752  SlogP: 4.40179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0862303  Sterimol/B1: 2.31401  Sterimol/B2: 3.89631  Sterimol/B3: 4.8996
  Sterimol/B4: 8.64103  Sterimol/L: 16.5255 
 
 Surface and Volume Properties
  Accessible surface: 628.575  Positive charged surface: 297.041  Negative charged surface: 331.534  Volume: 350.5
  Hydrophobic surface: 412.85  Hydrophilic surface: 215.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.