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APOLLO-ZINC00161352

 MMsINC code: MMs00046177
Type: Neutral
Formula: C11H14F3N5
SMILES:   FC(F)(F)C1=Nc2n(nc(c2)C(C)(C)C)C(NN)=C1
InChI:   InChI=1/C11H14F3N5/c1-10(2,3)6-4-8-16-7(11(12,13)14)5-9(17-15)19(8)18-6/h4-5,17H,15H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.262 g/mol  logS: -2.93098  SlogP: 2.5106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702253  Sterimol/B1: 2.23286  Sterimol/B2: 4.62134  Sterimol/B3: 4.89751
  Sterimol/B4: 5.54541  Sterimol/L: 12.5071 
 
 Surface and Volume Properties
  Accessible surface: 472.67  Positive charged surface: 248.642  Negative charged surface: 224.027  Volume: 231.125
  Hydrophobic surface: 196.301  Hydrophilic surface: 276.369
 
 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.