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ENAMINE-ZINC05164134

 MMsINC code: MMs01594180
Type: Neutral
Formula: C13H14F2N2O2
SMILES:   FC(F)Oc1ccc(cc1)/C(=N\NC(=O)C1CC1)/C
InChI:   InChI=1/C13H14F2N2O2/c1-8(16-17-12(18)10-2-3-10)9-4-6-11(7-5-9)19-13(14)15/h4-7,10,13H,2-3H2,1H3,(H,17,18)/b16-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.3227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.263 g/mol  logS: -2.51952  SlogP: 2.9581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207287  Sterimol/B1: 1.97031  Sterimol/B2: 2.50712  Sterimol/B3: 3.34748
  Sterimol/B4: 6.45212  Sterimol/L: 17.0085 
 
 Surface and Volume Properties
  Accessible surface: 496.116  Positive charged surface: 271.387  Negative charged surface: 224.729  Volume: 240.625
  Hydrophobic surface: 308.739  Hydrophilic surface: 187.377
 
 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.