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IFLAB-ZINC00152059

 MMsINC code: MMs01976637
Type: Neutral
Formula: C19H15FN2O
SMILES:   Fc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C19H15FN2O/c20-15-11-13-16(14-12-15)21-19(23)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.34 g/mol  logS: -5.2649  SlogP: 5.1959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145233  Sterimol/B1: 2.18686  Sterimol/B2: 3.60002  Sterimol/B3: 3.88218
  Sterimol/B4: 9.35406  Sterimol/L: 14.4402 
 
 Surface and Volume Properties
  Accessible surface: 546.901  Positive charged surface: 284.396  Negative charged surface: 262.506  Volume: 293.25
  Hydrophobic surface: 525.97  Hydrophilic surface: 20.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.