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CHEMBLOCK-ZINC04786712

 MMsINC code: MMs00580431
Type: Neutral
Formula: C11H9F3N2O
SMILES:   FC(F)(F)c1nn(C)c(c1)-c1ccccc1O
InChI:   InChI=1/C11H9F3N2O/c1-16-8(6-10(15-16)11(12,13)14)7-4-2-3-5-9(7)17/h2-6,17H,1H3

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Potential Energy
Epot(MMFF94)=72.0522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.2 g/mol  logS: -2.95763  SlogP: 3.4822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0802551  Sterimol/B1: 2.07059  Sterimol/B2: 2.2021  Sterimol/B3: 3.5908
  Sterimol/B4: 6.68723  Sterimol/L: 12.7253 
 
 Surface and Volume Properties
  Accessible surface: 417.255  Positive charged surface: 201.672  Negative charged surface: 215.583  Volume: 201.75
  Hydrophobic surface: 248.101  Hydrophilic surface: 169.154
 
 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.