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APOLLO-ZINC02243112

 MMsINC code: MMs00051089
Type: Neutral
Formula: C6H6F2N2
SMILES:   Fc1cc(NN)ccc1F
InChI:   InChI=1/C6H6F2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.6036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.124 g/mol  logS: -1.67565  SlogP: 1.2504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00708013  Sterimol/B1: 2.12755  Sterimol/B2: 2.18043  Sterimol/B3: 2.51019
  Sterimol/B4: 5.41084  Sterimol/L: 10.0575 
 
 Surface and Volume Properties
  Accessible surface: 297.556  Positive charged surface: 158.068  Negative charged surface: 139.488  Volume: 121.5
  Hydrophobic surface: 205.704  Hydrophilic surface: 91.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.