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APOLLO-ZINC02243143

 MMsINC code: MMs00051120
Type: Neutral
Formula: C7H6F4N2
SMILES:   Fc1cc(ccc1NN)C(F)(F)F
InChI:   InChI=1/C7H6F4N2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,13H,12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.8491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.131 g/mol  logS: -2.43722  SlogP: 2.4416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269344  Sterimol/B1: 2.12226  Sterimol/B2: 2.4794  Sterimol/B3: 2.90232
  Sterimol/B4: 5.29663  Sterimol/L: 10.8449 
 
 Surface and Volume Properties
  Accessible surface: 336.873  Positive charged surface: 138.199  Negative charged surface: 198.674  Volume: 144.625
  Hydrophobic surface: 143.302  Hydrophilic surface: 193.571
 
 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.