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CHEMBRIDGE-ZINC01178642

 MMsINC code: MMs00681307
Type: Neutral
Formula: C22H15FN2O2
SMILES:   Fc1ccc(cc1)-c1nn(cc1C(Oc1ccccc1)=O)-c1ccccc1
InChI:   InChI=1/C22H15FN2O2/c23-17-13-11-16(12-14-17)21-20(22(26)27-19-9-5-2-6-10-19)15-25(24-21)18-7-3-1-4-8-18/h1-15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.372 g/mol  logS: -6.34301  SlogP: 4.8976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508345  Sterimol/B1: 3.38751  Sterimol/B2: 3.41727  Sterimol/B3: 3.81617
  Sterimol/B4: 9.54658  Sterimol/L: 16.94 
 
 Surface and Volume Properties
  Accessible surface: 621.323  Positive charged surface: 303.988  Negative charged surface: 317.335  Volume: 336.5
  Hydrophobic surface: 574.866  Hydrophilic surface: 46.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.