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ENAMINE-ZINC05268974

 MMsINC code: MMs01606270
Type: Neutral
Formula: C4H3F2N3O2
SMILES:   FC(F)n1cc([N+](=O)[O-])nc1
InChI:   InChI=1/C4H3F2N3O2/c5-4(6)8-1-3(7-2-8)9(10)11/h1-2,4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.083 g/mol  logS: -1.06847  SlogP: 1.2819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311047  Sterimol/B1: 2.12321  Sterimol/B2: 2.55305  Sterimol/B3: 2.56331
  Sterimol/B4: 4.37955  Sterimol/L: 9.9836 
 
 Surface and Volume Properties
  Accessible surface: 297.551  Positive charged surface: 112.635  Negative charged surface: 184.916  Volume: 112.75
  Hydrophobic surface: 82.6517  Hydrophilic surface: 214.8993
 
 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.