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ACROSORGANICS-ZINC00391974

 MMsINC code: MMs00007370
Type: Neutral
Formula: C6H3Cl3O
SMILES:   Clc1cc(Cl)cc(Cl)c1O
InChI:   InChI=1/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.448 g/mol  logS: -3.2258  SlogP: 3.3524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139  Sterimol/B1: 2.20056  Sterimol/B2: 2.2293  Sterimol/B3: 3.55154
  Sterimol/B4: 5.94836  Sterimol/L: 9.67416 
 
 Surface and Volume Properties
  Accessible surface: 331.354  Positive charged surface: 84.4143  Negative charged surface: 246.94  Volume: 144.875
  Hydrophobic surface: 290.296  Hydrophilic surface: 41.058
 
 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.