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CHEMBRIDGE-ZINC00709692

 MMsINC code: MMs00641519
Type: Neutral
Formula: C23H11F3N2O5
SMILES:   FC(F)(F)Oc1ccc(N2C(=O)c3c(ccc(c3)C=3OC(=O)c4c(N=3)cccc4)C2=O
)cc1
InChI:   InChI=1/C23H11F3N2O5/c24-23(25,26)33-14-8-6-13(7-9-14)28-20(29)15-10-5-12(11-17(15)21(28)30)19-27-18-4-2-1-3-16(18)22(31)32-19/h1-11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.344 g/mol  logS: -8.0782  SlogP: 5.0544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00321562  Sterimol/B1: 2.64579  Sterimol/B2: 2.72813  Sterimol/B3: 3.96226
  Sterimol/B4: 5.79159  Sterimol/L: 22.2158 
 
 Surface and Volume Properties
  Accessible surface: 658.035  Positive charged surface: 280.775  Negative charged surface: 377.26  Volume: 360.25
  Hydrophobic surface: 399.576  Hydrophilic surface: 258.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.