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CHEMBLOCK-ZINC04625465

 MMsINC code: MMs00565239
Type: Neutral
Formula: C11H8F3N3O
SMILES:   FC(F)(F)C(=O)Nc1[nH]nc(c1)-c1ccccc1
InChI:   InChI=1/C11H8F3N3O/c12-11(13,14)10(18)15-9-6-8(16-17-9)7-4-2-1-3-5-7/h1-6H,(H2,15,16,17,18)

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Potential Energy
Epot(MMFF94)=87.9912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.199 g/mol  logS: -3.81244  SlogP: 2.9974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00853132  Sterimol/B1: 2.63648  Sterimol/B2: 2.63964  Sterimol/B3: 3.39214
  Sterimol/B4: 5.21521  Sterimol/L: 13.9498 
 
 Surface and Volume Properties
  Accessible surface: 437.635  Positive charged surface: 175.288  Negative charged surface: 262.348  Volume: 202.625
  Hydrophobic surface: 216.769  Hydrophilic surface: 220.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.