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ACROSORGANICS-ZINC02242619

 MMsINC code: MMs00013218
Type: Neutral
Formula: C7H6Cl2O
SMILES:   Clc1ccc(OCCl)cc1
InChI:   InChI=1/C7H6Cl2O/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.03 g/mol  logS: -2.64033  SlogP: 2.9151  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0431365  Sterimol/B1: 2.36031  Sterimol/B2: 2.55155  Sterimol/B3: 3.52785
  Sterimol/B4: 5.28666  Sterimol/L: 10.9845 
 
 Surface and Volume Properties
  Accessible surface: 337.587  Positive charged surface: 131.043  Negative charged surface: 206.544  Volume: 147
  Hydrophobic surface: 245.186  Hydrophilic surface: 92.401
 
 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.