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AURORAFEINCHEMIE-ZINC06732199

 MMsINC code: MMs00480232
Type: Tautomer
Formula: C10H6Cl2O4
SMILES:   Clc1cc(Cl)ccc1C(=O)CC(=O)C(O)=O
InChI:   InChI=1/C10H6Cl2O4/c11-5-1-2-6(7(12)3-5)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.06 g/mol  logS: -3.36748  SlogP: 2.2199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00731264  Sterimol/B1: 2.37382  Sterimol/B2: 2.37528  Sterimol/B3: 2.53709
  Sterimol/B4: 6.45355  Sterimol/L: 14.7403 
 
 Surface and Volume Properties
  Accessible surface: 424.01  Positive charged surface: 162.551  Negative charged surface: 261.459  Volume: 202.75
  Hydrophobic surface: 265.69  Hydrophilic surface: 158.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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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Parent related molecule:


MMs00480231
AURORAFEINCHEMIE-ZINC06732199