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ASINEX-ZINC04966786

 MMsINC code: MMs00415594
Type: Neutral
Formula: C13H10F2N2
SMILES:   Fc1cc(N\N=C/c2ccc(F)cc2)ccc1
InChI:   InChI=1/C13H10F2N2/c14-11-6-4-10(5-7-11)9-16-17-13-3-1-2-12(15)8-13/h1-9,17H/b16-9-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.7962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.233 g/mol  logS: -3.59687  SlogP: 3.4108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020672  Sterimol/B1: 2.24433  Sterimol/B2: 2.5075  Sterimol/B3: 3.04893
  Sterimol/B4: 5.85704  Sterimol/L: 14.0685 
 
 Surface and Volume Properties
  Accessible surface: 432.594  Positive charged surface: 219.186  Negative charged surface: 213.408  Volume: 212
  Hydrophobic surface: 392.678  Hydrophilic surface: 39.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.