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ACROSORGANICS-ZINC00092915

 MMsINC code: MMs00003935
Type: Neutral
Formula: C7H7F3N2
SMILES:   FC(F)(F)c1cc(N)c(N)cc1
InChI:   InChI=1/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.6772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.141 g/mol  logS: -1.88319  SlogP: 2.1813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284345  Sterimol/B1: 2.63785  Sterimol/B2: 2.63929  Sterimol/B3: 2.77895
  Sterimol/B4: 5.37119  Sterimol/L: 9.72265 
 
 Surface and Volume Properties
  Accessible surface: 323.598  Positive charged surface: 150.474  Negative charged surface: 173.124  Volume: 139.75
  Hydrophobic surface: 112.43  Hydrophilic surface: 211.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.