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OAKWOOD-ZINC02554071

 MMsINC code: MMs02545974
Type: Neutral
Formula: C6H7F3N4
SMILES:   FC(F)(F)c1nc(nc(c1)C)NN
InChI:   InChI=1/C6H7F3N4/c1-3-2-4(6(7,8)9)12-5(11-3)13-10/h2H,10H2,1H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=50.1668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.144 g/mol  logS: -2.11315  SlogP: 1.40092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485267  Sterimol/B1: 1.969  Sterimol/B2: 2.51168  Sterimol/B3: 2.73376
  Sterimol/B4: 7.1691  Sterimol/L: 10.5447 
 
 Surface and Volume Properties
  Accessible surface: 360.105  Positive charged surface: 184.495  Negative charged surface: 175.61  Volume: 148.25
  Hydrophobic surface: 122.316  Hydrophilic surface: 237.789
 
 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.