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ACROSORGANICS-ZINC00406913

 MMsINC code: MMs00007810
Type: Neutral
Formula: C7H6Cl2O
SMILES:   Clc1ccc(Cl)cc1CO
InChI:   InChI=1/C7H6Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.1634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.03 g/mol  logS: -2.62448  SlogP: 2.7521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239247  Sterimol/B1: 2.37311  Sterimol/B2: 2.376  Sterimol/B3: 4.75117
  Sterimol/B4: 4.9707  Sterimol/L: 9.67753 
 
 Surface and Volume Properties
  Accessible surface: 332.683  Positive charged surface: 136.743  Negative charged surface: 195.941  Volume: 148.125
  Hydrophobic surface: 278.735  Hydrophilic surface: 53.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.