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ASINEX-ZINC03061949

 MMsINC code: MMs00284909
Type: Neutral
Formula: C13H15F3N2O2
SMILES:   FC(F)(F)c1cc(NC(=O)C(=O)NCC(C)C)ccc1
InChI:   InChI=1/C13H15F3N2O2/c1-8(2)7-17-11(19)12(20)18-10-5-3-4-9(6-10)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.5382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.269 g/mol  logS: -3.54684  SlogP: 2.7276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401073  Sterimol/B1: 2.12157  Sterimol/B2: 3.67765  Sterimol/B3: 4.30333
  Sterimol/B4: 4.33858  Sterimol/L: 16.972 
 
 Surface and Volume Properties
  Accessible surface: 510.926  Positive charged surface: 265.203  Negative charged surface: 245.723  Volume: 247.875
  Hydrophobic surface: 273.452  Hydrophilic surface: 237.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.