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NCID-ZINC01706155

 MMsINC code: MMs02334558
Type: Neutral
Formula: C6H4Cl2FN
SMILES:   Clc1cc(F)c(Cl)cc1N
InChI:   InChI=1/C6H4Cl2FN/c7-3-2-6(10)4(8)1-5(3)9/h1-2H,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.0124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.009 g/mol  logS: -2.86932  SlogP: 2.7147  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.86871e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09857  Sterimol/B3: 3.1021
  Sterimol/B4: 5.7262  Sterimol/L: 8.86505 
 
 Surface and Volume Properties
  Accessible surface: 313.218  Positive charged surface: 108.374  Negative charged surface: 204.844  Volume: 135.75
  Hydrophobic surface: 260.652  Hydrophilic surface: 52.566
 
 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.