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SIAL-ZINC04829107

 MMsINC code: MMs03926258
Type: Neutral
Formula: C10H9F3N2O3
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])c(NC(=O)CC)cc1
InChI:   InChI=1/C10H9F3N2O3/c1-2-9(16)14-7-4-3-6(10(11,12)13)5-8(7)15(17)18/h3-5H,2H2,1H3,(H,14,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.0304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.187 g/mol  logS: -3.64288  SlogP: 3.2736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289582  Sterimol/B1: 2.54848  Sterimol/B2: 2.99761  Sterimol/B3: 3.10952
  Sterimol/B4: 6.17521  Sterimol/L: 13.52 
 
 Surface and Volume Properties
  Accessible surface: 428.453  Positive charged surface: 174.006  Negative charged surface: 254.446  Volume: 201.25
  Hydrophobic surface: 200.568  Hydrophilic surface: 227.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.