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ACROSORGANICS-ZINC00056775

 MMsINC code: MMs00003306
Type: Ionized
Formula: C7H2Cl3O2-
SMILES:   Clc1c(cc(Cl)cc1Cl)C(=O)[O-]
InChI:   InChI=1/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.3014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.45 g/mol  logS: -3.8176  SlogP: 2.0103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366654  Sterimol/B1: 2.75245  Sterimol/B2: 2.75967  Sterimol/B3: 3.47975
  Sterimol/B4: 5.96149  Sterimol/L: 9.28958 
 
 Surface and Volume Properties
  Accessible surface: 350.864  Positive charged surface: 62.911  Negative charged surface: 287.953  Volume: 159.75
  Hydrophobic surface: 269.293  Hydrophilic surface: 81.571
 
 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:


MMs00003305
ACROSORGANICS-ZINC00056775