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IBS-ZINC06755168

 MMsINC code: MMs01967675
Type: Neutral
Formula: C18H14F3NO5
SMILES:   FC(F)(F)c1noc(c1-c1cc(OC)c(OC)cc1)-c1ccc(O)cc1O
InChI:   InChI=1/C18H14F3NO5/c1-25-13-6-3-9(7-14(13)26-2)15-16(27-22-17(15)18(19,20)21)11-5-4-10(23)8-12(11)24/h3-8,23-24H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.306 g/mol  logS: -5.43912  SlogP: 4.7673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199637  Sterimol/B1: 2.16802  Sterimol/B2: 2.69723  Sterimol/B3: 5.96786
  Sterimol/B4: 9.87686  Sterimol/L: 13.0285 
 
 Surface and Volume Properties
  Accessible surface: 573.577  Positive charged surface: 345.588  Negative charged surface: 227.988  Volume: 309.125
  Hydrophobic surface: 348.938  Hydrophilic surface: 224.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.