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ENAMINE-ZINC02647796

 MMsINC code: MMs01273355
Type: Neutral
Formula: C8H5F2N3O2
SMILES:   FC(F)n1ncc2cc([N+](=O)[O-])ccc12
InChI:   InChI=1/C8H5F2N3O2/c9-8(10)12-7-2-1-6(13(14)15)3-5(7)4-11-12/h1-4,8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.2124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.143 g/mol  logS: -2.43571  SlogP: 2.4351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157625  Sterimol/B1: 2.11679  Sterimol/B2: 2.43612  Sterimol/B3: 2.55407
  Sterimol/B4: 6.0767  Sterimol/L: 11.7526 
 
 Surface and Volume Properties
  Accessible surface: 361.02  Positive charged surface: 142.67  Negative charged surface: 212.539  Volume: 160.625
  Hydrophobic surface: 184.69  Hydrophilic surface: 176.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.