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ACROSORGANICS-ZINC00405282

 MMsINC code: MMs00007797
Type: Neutral
Formula: C7H5Cl3O
SMILES:   Clc1c(Cl)c(Cl)ccc1OC
InChI:   InChI=1/C7H5Cl3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.7242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.475 g/mol  logS: -3.63813  SlogP: 3.6554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020583  Sterimol/B1: 2.37383  Sterimol/B2: 2.37529  Sterimol/B3: 4.06916
  Sterimol/B4: 5.00191  Sterimol/L: 10.9666 
 
 Surface and Volume Properties
  Accessible surface: 359.02  Positive charged surface: 144.472  Negative charged surface: 214.548  Volume: 163.375
  Hydrophobic surface: 353.169  Hydrophilic surface: 5.851
 
 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.