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ENAMINE-ZINC03550759

 MMsINC code: MMs01503390
Type: Neutral
Formula: C19H17FN2O2
SMILES:   Fc1ccccc1COC(=O)c1c(n(nc1C)-c1ccccc1)C
InChI:   InChI=1/C19H17FN2O2/c1-13-18(14(2)22(21-13)16-9-4-3-5-10-16)19(23)24-12-15-8-6-7-11-17(15)20/h3-11H,12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.1695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.355 g/mol  logS: -4.61018  SlogP: 4.25164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112519  Sterimol/B1: 2.30059  Sterimol/B2: 3.46422  Sterimol/B3: 4.7214
  Sterimol/B4: 7.01342  Sterimol/L: 17.5378 
 
 Surface and Volume Properties
  Accessible surface: 589.269  Positive charged surface: 312.306  Negative charged surface: 276.964  Volume: 310.125
  Hydrophobic surface: 540.887  Hydrophilic surface: 48.382
 
 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.