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APOLLO-ZINC02584281

 MMsINC code: MMs00055606
Type: Neutral
Formula: C6H6ClFN2
SMILES:   Clc1cccc(F)c1NN
InChI:   InChI=1/C6H6ClFN2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.579 g/mol  logS: -2.11496  SlogP: 1.7647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607986  Sterimol/B1: 2.58481  Sterimol/B2: 2.63677  Sterimol/B3: 3.5099
  Sterimol/B4: 5.39289  Sterimol/L: 9.67817 
 
 Surface and Volume Properties
  Accessible surface: 315.859  Positive charged surface: 159.165  Negative charged surface: 156.694  Volume: 133.75
  Hydrophobic surface: 226.337  Hydrophilic surface: 89.522
 
 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.