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CHEMBLOCK-ZINC00061720

 MMsINC code: MMs00492225
Type: Neutral
Formula: C19H15FN2O2
SMILES:   Fc1ccc(cc1)C(=O)N\N=C\c1cc2c(cc(OC)cc2)cc1
InChI:   InChI=1/C19H15FN2O2/c1-24-18-9-6-15-10-13(2-3-16(15)11-18)12-21-22-19(23)14-4-7-17(20)8-5-14/h2-12H,1H3,(H,22,23)/b21-12+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.339 g/mol  logS: -5.76139  SlogP: 3.7514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0013886  Sterimol/B1: 2.37436  Sterimol/B2: 2.37476  Sterimol/B3: 3.85184
  Sterimol/B4: 4.49568  Sterimol/L: 21.2677 
 
 Surface and Volume Properties
  Accessible surface: 593.173  Positive charged surface: 332.512  Negative charged surface: 248.733  Volume: 302.875
  Hydrophobic surface: 507.108  Hydrophilic surface: 86.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.