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PUBCHEM-ZINC05957206

 MMsINC code: MMs03460123
Type: Neutral
Formula: C8H10FN3
SMILES:   Fc1ccc(N=NN(C)C)cc1
InChI:   InChI=1/C8H10FN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3/b11-10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.187 g/mol  logS: -1.52167  SlogP: 2.386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015996  Sterimol/B1: 2.37521  Sterimol/B2: 2.5019  Sterimol/B3: 2.51493
  Sterimol/B4: 5.17621  Sterimol/L: 12.4743 
 
 Surface and Volume Properties
  Accessible surface: 382.766  Positive charged surface: 256.807  Negative charged surface: 125.958  Volume: 163
  Hydrophobic surface: 381.38  Hydrophilic surface: 1.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.