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NCID-ZINC01599611

 MMsINC code: MMs02252861
Type: Neutral
Formula: C5H6F3N5
SMILES:   FC(F)(F)c1nc(N)c(N)c(n1)N
InChI:   InChI=1/C5H6F3N5/c6-5(7,8)4-12-2(10)1(9)3(11)13-4/h9H2,(H4,10,11,12,13)

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Potential Energy
Epot(MMFF94)=68.4067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.132 g/mol  logS: -0.96127  SlogP: 0.5535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294894  Sterimol/B1: 2.42506  Sterimol/B2: 2.77316  Sterimol/B3: 4.55273
  Sterimol/B4: 4.55352  Sterimol/L: 9.51171 
 
 Surface and Volume Properties
  Accessible surface: 331.363  Positive charged surface: 174.364  Negative charged surface: 156.999  Volume: 136.875
  Hydrophobic surface: 9.0736  Hydrophilic surface: 322.2894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.