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ASINEX-ZINC02521278

 MMsINC code: MMs00274301
Type: Neutral
Formula: C6H5ClO2
SMILES:   ClC(=O)c1ccoc1C
InChI:   InChI=1/C6H5ClO2/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.2948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.557 g/mol  logS: -2.42307  SlogP: 1.96702  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0378198  Sterimol/B1: 2.09755  Sterimol/B2: 2.512  Sterimol/B3: 3.01013
  Sterimol/B4: 5.7571  Sterimol/L: 8.07591 
 
 Surface and Volume Properties
  Accessible surface: 298.71  Positive charged surface: 104.928  Negative charged surface: 193.782  Volume: 122.875
  Hydrophobic surface: 181.501  Hydrophilic surface: 117.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.