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CHEMBLOCK-ZINC00067849

 MMsINC code: MMs00493385
Type: Neutral
Formula: C10H10F3N6+
SMILES:   FC(F)(F)c1cc(N\N=C/2\C(=NNC\2=[NH2+])N)ccc1
InChI:   InChI=1/C10H9F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,16H,(H4,14,15,17,18,19)/p+1

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Potential Energy
Epot(MMFF94)=89.4989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.226 g/mol  logS: -3.57739  SlogP: -0.1822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943574  Sterimol/B1: 2.184  Sterimol/B2: 2.31625  Sterimol/B3: 4.25548
  Sterimol/B4: 6.00393  Sterimol/L: 13.4352 
 
 Surface and Volume Properties
  Accessible surface: 458.474  Positive charged surface: 238.947  Negative charged surface: 219.527  Volume: 217
  Hydrophobic surface: 128.933  Hydrophilic surface: 329.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs00493386
CHEMBLOCK-ZINC00067849