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CHEMBRIDGE-ZINC02905276

 MMsINC code: MMs00740146
Type: Neutral
Formula: C9H7F7N2
SMILES:   FC(F)(C(F)(F)C(F)(F)F)c1cc(N)cc(N)c1
InChI:   InChI=1/C9H7F7N2/c10-7(11,8(12,13)9(14,15)16)4-1-5(17)3-6(18)2-4/h1-3H,17-18H2

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Potential Energy
Epot(MMFF94)=64.7867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.155 g/mol  logS: -3.28987  SlogP: 4.2917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722507  Sterimol/B1: 2.66919  Sterimol/B2: 3.27233  Sterimol/B3: 3.36112
  Sterimol/B4: 5.75507  Sterimol/L: 11.2395 
 
 Surface and Volume Properties
  Accessible surface: 395.744  Positive charged surface: 153.504  Negative charged surface: 242.239  Volume: 186.625
  Hydrophobic surface: 88.7648  Hydrophilic surface: 306.9792
 
 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.