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CHEMDIV-ZINC06839359

 MMsINC code: MMs01045304
Type: Neutral
Formula: C17H15FN2O2
SMILES:   Fc1ccccc1N(C(=O)Cc1noc2c1cc(cc2)C)C
InChI:   InChI=1/C17H15FN2O2/c1-11-7-8-16-12(9-11)14(19-22-16)10-17(21)20(2)15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.317 g/mol  logS: -4.7252  SlogP: 3.48079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127827  Sterimol/B1: 2.45324  Sterimol/B2: 3.51738  Sterimol/B3: 4.47687
  Sterimol/B4: 7.00029  Sterimol/L: 14.571 
 
 Surface and Volume Properties
  Accessible surface: 531.437  Positive charged surface: 298.176  Negative charged surface: 229.322  Volume: 280.125
  Hydrophobic surface: 485.105  Hydrophilic surface: 46.332
 
 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.