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PUBCHEM-ZINC06161200

 MMsINC code: MMs03572468
Type: Neutral
Formula: C10H6F4N4O
SMILES:   Fc1ccc(N=Nc2c([nH]nc2O)C(F)(F)F)cc1
InChI:   InChI=1/C10H6F4N4O/c11-5-1-3-6(4-2-5)15-16-7-8(10(12,13)14)17-18-9(7)19/h1-4H,(H2,17,18,19)/b16-15+

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Potential Energy
Epot(MMFF94)=38.9386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.177 g/mol  logS: -3.16748  SlogP: 4.0001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128175  Sterimol/B1: 2.51362  Sterimol/B2: 2.76052  Sterimol/B3: 3.40283
  Sterimol/B4: 5.27804  Sterimol/L: 13.37 
 
 Surface and Volume Properties
  Accessible surface: 434.746  Positive charged surface: 177.826  Negative charged surface: 256.92  Volume: 201.25
  Hydrophobic surface: 211.893  Hydrophilic surface: 222.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs03572469
PUBCHEM-ZINC06161200