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ENAMINE-ZINC03187643

 MMsINC code: MMs01299948
Type: Neutral
Formula: C15H12F3N3O3
SMILES:   FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)N\N=C\c1ccccc1O
InChI:   InChI=1/C15H12F3N3O3/c16-15(17,18)11-5-6-14(24)21(8-11)9-13(23)20-19-7-10-3-1-2-4-12(10)22/h1-8,22H,9H2,(H,20,23)/b19-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.273 g/mol  logS: -3.49469  SlogP: 2.1068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625353  Sterimol/B1: 3.60608  Sterimol/B2: 4.00593  Sterimol/B3: 4.27184
  Sterimol/B4: 4.5804  Sterimol/L: 16.9676 
 
 Surface and Volume Properties
  Accessible surface: 557.374  Positive charged surface: 272.363  Negative charged surface: 285.011  Volume: 280.625
  Hydrophobic surface: 308.084  Hydrophilic surface: 249.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.