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CHEMBLOCK-ZINC00032668

 MMsINC code: MMs00485814
Type: Neutral
Formula: C7H4F3N3O
SMILES:   FC(F)(F)c1cc2nnn(O)c2cc1
InChI:   InChI=1/C7H4F3N3O/c8-7(9,10)4-1-2-6-5(3-4)11-12-13(6)14/h1-3,14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.9997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.123 g/mol  logS: -1.82767  SlogP: 1.9989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031347  Sterimol/B1: 2.45432  Sterimol/B2: 2.48488  Sterimol/B3: 2.78972
  Sterimol/B4: 5.1886  Sterimol/L: 10.4726 
 
 Surface and Volume Properties
  Accessible surface: 337.798  Positive charged surface: 97.5536  Negative charged surface: 240.245  Volume: 144.875
  Hydrophobic surface: 108.311  Hydrophilic surface: 229.487
 
 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.