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ACROSORGANICS-ZINC00388528

 MMsINC code: MMs00007050
Type: Neutral
Formula: C6H5F2N
SMILES:   Fc1cc(N)ccc1F
InChI:   InChI=1/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.8544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.109 g/mol  logS: -1.69572  SlogP: 1.547  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.13613e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09844  Sterimol/B3: 2.48818
  Sterimol/B4: 4.98955  Sterimol/L: 8.95563 
 
 Surface and Volume Properties
  Accessible surface: 276.789  Positive charged surface: 141.32  Negative charged surface: 135.469  Volume: 109.5
  Hydrophobic surface: 214.498  Hydrophilic surface: 62.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.