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PUBCHEM-ZINC00157136

 MMsINC code: MMs02635960
Type: Ionized
Formula: C11H5Cl2O3-
SMILES:   Clc1cc(cc(Cl)c1)-c1oc(cc1)C(=O)[O-]
InChI:   InChI=1/C11H6Cl2O3/c12-7-3-6(4-8(13)5-7)9-1-2-10(16-9)11(14)15/h1-5H,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.5762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.064 g/mol  logS: -5.23006  SlogP: 2.6169  Reactive groups: 0
 
 Topological Properties
  Globularity: 9.85244e-08  Sterimol/B1: 2.09708  Sterimol/B2: 2.09862  Sterimol/B3: 2.75028
  Sterimol/B4: 6.63655  Sterimol/L: 13.1178 
 
 Surface and Volume Properties
  Accessible surface: 425.502  Positive charged surface: 122.006  Negative charged surface: 303.497  Volume: 203.75
  Hydrophobic surface: 327.324  Hydrophilic surface: 98.178
 
 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:


MMs02635959
PUBCHEM-ZINC00157136