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ENAMINE-ZINC05163758

 MMsINC code: MMs01594063
Type: Neutral
Formula: C11H12F2N2O3
SMILES:   FC(F)Oc1ccc(cc1)/C(=N\NC(OC)=O)/C
InChI:   InChI=1/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-3-5-9(6-4-8)18-10(12)13/h3-6,10H,1-2H3,(H,15,16)/b14-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.224 g/mol  logS: -2.28748  SlogP: 2.7879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014103  Sterimol/B1: 1.969  Sterimol/B2: 2.63708  Sterimol/B3: 2.64025
  Sterimol/B4: 6.8361  Sterimol/L: 15.2455 
 
 Surface and Volume Properties
  Accessible surface: 467.646  Positive charged surface: 277.924  Negative charged surface: 189.722  Volume: 222.375
  Hydrophobic surface: 298.603  Hydrophilic surface: 169.043
 
 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.