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ACROSORGANICS-ZINC00152667

 MMsINC code: MMs00004640
Type: Neutral
Formula: C7H4Cl2O2
SMILES:   Clc1cc(cc(Cl)c1)C(O)=O
InChI:   InChI=1/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.9943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.013 g/mol  logS: -2.82286  SlogP: 2.6916  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.92846e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09852  Sterimol/B3: 3.20094
  Sterimol/B4: 6.23369  Sterimol/L: 9.90395 
 
 Surface and Volume Properties
  Accessible surface: 339.376  Positive charged surface: 108.929  Negative charged surface: 230.447  Volume: 147.125
  Hydrophobic surface: 242.474  Hydrophilic surface: 96.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00004641
ACROSORGANICS-ZINC00152667