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IBS-ZINC05389044

 MMsINC code: MMs01945138
Type: Neutral
Formula: C18H14F3NO4
SMILES:   FC(F)(F)c1noc(c1-c1ccc(OC)cc1)-c1ccc(OC)cc1O
InChI:   InChI=1/C18H14F3NO4/c1-24-11-5-3-10(4-6-11)15-16(26-22-17(15)18(19,20)21)13-8-7-12(25-2)9-14(13)23/h3-9,23H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.307 g/mol  logS: -5.80107  SlogP: 5.0617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817559  Sterimol/B1: 2.44074  Sterimol/B2: 2.8298  Sterimol/B3: 4.26359
  Sterimol/B4: 10.1983  Sterimol/L: 12.35 
 
 Surface and Volume Properties
  Accessible surface: 565.634  Positive charged surface: 335.563  Negative charged surface: 230.071  Volume: 301.625
  Hydrophobic surface: 385.844  Hydrophilic surface: 179.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.