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ACROSORGANICS-ZINC00159786

 MMsINC code: MMs00005895
Type: Ionized
Formula: C7H3Cl2O2-
SMILES:   Clc1ccc(Cl)cc1C(=O)[O-]
InChI:   InChI=1/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.0158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.005 g/mol  logS: -3.08331  SlogP: 1.3569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315104  Sterimol/B1: 2.65302  Sterimol/B2: 2.68873  Sterimol/B3: 4.42959
  Sterimol/B4: 4.6972  Sterimol/L: 9.32917 
 
 Surface and Volume Properties
  Accessible surface: 331.398  Positive charged surface: 82.1625  Negative charged surface: 249.236  Volume: 146
  Hydrophobic surface: 247.697  Hydrophilic surface: 83.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00005894
ACROSORGANICS-ZINC00159786