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CHEMBRIDGE-ZINC02918225

 MMsINC code: MMs00741315
Type: Neutral
Formula: C10H8Cl2O5
SMILES:   Clc1ccc(Cl)c(OC)c1C(OCC(O)=O)=O
InChI:   InChI=1/C10H8Cl2O5/c1-16-9-6(12)3-2-5(11)8(9)10(15)17-4-7(13)14/h2-3H,4H2,1H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.3417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.075 g/mol  logS: -3.28141  SlogP: 2.2434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979505  Sterimol/B1: 2.42728  Sterimol/B2: 3.19491  Sterimol/B3: 4.02476
  Sterimol/B4: 7.68622  Sterimol/L: 13.0851 
 
 Surface and Volume Properties
  Accessible surface: 457.966  Positive charged surface: 219.802  Negative charged surface: 238.165  Volume: 218.875
  Hydrophobic surface: 320.6  Hydrophilic surface: 137.366
 
 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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Ions/Tautomers related molecules


MMs00741316
CHEMBRIDGE-ZINC02918225