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ASINEX-ZINC00362330

 MMsINC code: MMs00124386
Type: Neutral
Formula: C13H13F6NO3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1ccc(N(C(OCC)=O)C)cc1
InChI:   InChI=1/C13H13F6NO3/c1-3-23-10(21)20(2)9-6-4-8(5-7-9)11(22,12(14,15)16)13(17,18)19/h4-7,22H,3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.8279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.239 g/mol  logS: -3.82201  SlogP: 4.7428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0743182  Sterimol/B1: 3.27231  Sterimol/B2: 3.3962  Sterimol/B3: 3.81704
  Sterimol/B4: 4.66709  Sterimol/L: 15.9341 
 
 Surface and Volume Properties
  Accessible surface: 515.04  Positive charged surface: 260.006  Negative charged surface: 255.033  Volume: 261.625
  Hydrophobic surface: 269.273  Hydrophilic surface: 245.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.