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ENAMINE-ZINC00075251

 MMsINC code: MMs01223177
Type: Neutral
Formula: C7H5F2NO
SMILES:   Fc1cccc(F)c1\C=N\O
InChI:   InChI=1/C7H5F2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H/b10-4+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.1388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.119 g/mol  logS: -1.79617  SlogP: 1.7729  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.6519e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09866  Sterimol/B3: 3.52157
  Sterimol/B4: 4.46489  Sterimol/L: 10.8295 
 
 Surface and Volume Properties
  Accessible surface: 315.107  Positive charged surface: 165.316  Negative charged surface: 149.791  Volume: 129.25
  Hydrophobic surface: 222.09  Hydrophilic surface: 93.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.