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OAKWOOD-ZINC02571849

 MMsINC code: MMs02546419
Type: Neutral
Formula: C9H9ClO4
SMILES:   Clc1cc(OC)c(OC)cc1C(O)=O
InChI:   InChI=1/C9H9ClO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.7547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.62 g/mol  logS: -2.18933  SlogP: 2.0554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235858  Sterimol/B1: 2.37341  Sterimol/B2: 2.37944  Sterimol/B3: 2.55017
  Sterimol/B4: 8.65683  Sterimol/L: 11.8652 
 
 Surface and Volume Properties
  Accessible surface: 397.725  Positive charged surface: 262.878  Negative charged surface: 134.848  Volume: 185.625
  Hydrophobic surface: 292.976  Hydrophilic surface: 104.749
 
 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


MMs02546420
OAKWOOD-ZINC02571849