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NCID-ZINC01705364

 MMsINC code: MMs02333928
Type: Neutral
Formula: C9H8Cl2O2
SMILES:   Clc1cc(Cl)c(O)c(C(=O)C)c1C
InChI:   InChI=1/C9H8Cl2O2/c1-4-6(10)3-7(11)9(13)8(4)5(2)12/h3,13H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.1635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.067 g/mol  logS: -2.96425  SlogP: 3.21002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124306  Sterimol/B1: 2.65231  Sterimol/B2: 3.09764  Sterimol/B3: 3.36502
  Sterimol/B4: 6.77799  Sterimol/L: 9.89496 
 
 Surface and Volume Properties
  Accessible surface: 384.171  Positive charged surface: 155.935  Negative charged surface: 228.235  Volume: 181.75
  Hydrophobic surface: 314.088  Hydrophilic surface: 70.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.