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AURORAFEINCHEMIE-ZINC06732199

 MMsINC code: MMs00480236
Type: Ionized
Formula: C10H5Cl2O4-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.2726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.052 g/mol  logS: -3.62793  SlogP: 0.8852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175844  Sterimol/B1: 2.4126  Sterimol/B2: 2.48247  Sterimol/B3: 4.42207
  Sterimol/B4: 6.18056  Sterimol/L: 12.3684 
 
 Surface and Volume Properties
  Accessible surface: 414.402  Positive charged surface: 124.259  Negative charged surface: 290.143  Volume: 198.875
  Hydrophobic surface: 260.577  Hydrophilic surface: 153.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs00480231
AURORAFEINCHEMIE-ZINC06732199