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CHEMBLOCK-ZINC00062914

 MMsINC code: MMs00492733
Type: Neutral
Formula: C10H5F3N4
SMILES:   FC(F)(F)c1ccccc1NN=C(C#N)C#N
InChI:   InChI=1/C10H5F3N4/c11-10(12,13)8-3-1-2-4-9(8)17-16-7(5-14)6-15/h1-4,17H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.8472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.172 g/mol  logS: -3.3491  SlogP: 2.83197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175829  Sterimol/B1: 2.63669  Sterimol/B2: 2.63944  Sterimol/B3: 3.47863
  Sterimol/B4: 5.47192  Sterimol/L: 12.5258 
 
 Surface and Volume Properties
  Accessible surface: 413.023  Positive charged surface: 148.357  Negative charged surface: 264.666  Volume: 193
  Hydrophobic surface: 156.025  Hydrophilic surface: 256.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.