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NCID-ZINC05046660

 MMsINC code: MMs02432107
Type: Neutral
Formula: C12H11F6NO2
SMILES:   FC(F)(F)C(O)(C/C(=N/O)/Cc1ccccc1)C(F)(F)F
InChI:   InChI=1/C12H11F6NO2/c13-11(14,15)10(20,12(16,17)18)7-9(19-21)6-8-4-2-1-3-5-8/h1-5,20-21H,6-7H2/b19-9-

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Potential Energy
Epot(MMFF94)=84.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.213 g/mol  logS: -3.41184  SlogP: 4.14487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162361  Sterimol/B1: 3.26559  Sterimol/B2: 3.27926  Sterimol/B3: 4.12265
  Sterimol/B4: 4.34358  Sterimol/L: 13.3011 
 
 Surface and Volume Properties
  Accessible surface: 451.944  Positive charged surface: 197.835  Negative charged surface: 254.109  Volume: 233.75
  Hydrophobic surface: 224.774  Hydrophilic surface: 227.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.