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PUBCHEM-ZINC02001006

 MMsINC code: MMs02843288
Type: Neutral
Formula: C8H6Cl2O2
SMILES:   ClC(Cl)(C(O)=O)c1ccccc1
InChI:   InChI=1/C8H6Cl2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.0059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.04 g/mol  logS: -2.9408  SlogP: 2.7131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13471  Sterimol/B1: 3.03743  Sterimol/B2: 3.60768  Sterimol/B3: 3.75245
  Sterimol/B4: 4.0319  Sterimol/L: 10.5669 
 
 Surface and Volume Properties
  Accessible surface: 354.805  Positive charged surface: 127.481  Negative charged surface: 227.325  Volume: 162.875
  Hydrophobic surface: 167.43  Hydrophilic surface: 187.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02843289
PUBCHEM-ZINC02001006