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CHEMBRIDGE-ZINC02837416

 MMsINC code: MMs00723215
Type: Neutral
Formula: C16H6F5NO2
SMILES:   Fc1c(\C=C\2/N=C(OC/2=O)c2ccccc2)c(F)c(F)c(F)c1F
InChI:   InChI=1/C16H6F5NO2/c17-10-8(11(18)13(20)14(21)12(10)19)6-9-16(23)24-15(22-9)7-4-2-1-3-5-7/h1-6H/b9-6+

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Potential Energy
Epot(MMFF94)=79.1769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.219 g/mol  logS: -6.53191  SlogP: 3.7266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247724  Sterimol/B1: 2.82465  Sterimol/B2: 3.09004  Sterimol/B3: 3.92824
  Sterimol/B4: 3.93421  Sterimol/L: 16.5817 
 
 Surface and Volume Properties
  Accessible surface: 500.71  Positive charged surface: 208.446  Negative charged surface: 292.264  Volume: 254.625
  Hydrophobic surface: 437.12  Hydrophilic surface: 63.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.