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ACROSORGANICS-ZINC01081499

 MMsINC code: MMs00008628
Type: Neutral
Formula: C7H4Cl2F3N
SMILES:   Clc1cc(Cl)cc(C(F)(F)F)c1N
InChI:   InChI=1/C7H4Cl2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.8912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.016 g/mol  logS: -3.63089  SlogP: 3.9059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433943  Sterimol/B1: 2.63786  Sterimol/B2: 2.63926  Sterimol/B3: 2.66924
  Sterimol/B4: 6.48618  Sterimol/L: 9.31842 
 
 Surface and Volume Properties
  Accessible surface: 346.778  Positive charged surface: 78.7525  Negative charged surface: 268.025  Volume: 160
  Hydrophobic surface: 212.148  Hydrophilic surface: 134.63
 
 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.