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CHEMBRIDGE-ZINC00306412

 MMsINC code: MMs00605145
Type: Neutral
Formula: C12H9F4NO2
SMILES:   FC(F)(C(F)F)c1onc(c1)-c1cc(ccc1O)C
InChI:   InChI=1/C12H9F4NO2/c1-6-2-3-9(18)7(4-6)8-5-10(19-17-8)12(15,16)11(13)14/h2-5,11,18H,1H3

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Potential Energy
Epot(MMFF94)=76.7857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.201 g/mol  logS: -3.89631  SlogP: 4.44392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362388  Sterimol/B1: 2.38934  Sterimol/B2: 2.84841  Sterimol/B3: 2.93192
  Sterimol/B4: 5.79097  Sterimol/L: 14.3125 
 
 Surface and Volume Properties
  Accessible surface: 444.4  Positive charged surface: 180.338  Negative charged surface: 264.063  Volume: 214.25
  Hydrophobic surface: 244.861  Hydrophilic surface: 199.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.