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ACROSORGANICS-ZINC00002215

 MMsINC code: MMs00002694
Type: Neutral
Formula: C6H3Cl3O
SMILES:   Clc1cc(Cl)c(Cl)cc1O
InChI:   InChI=1/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.5911 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: 0.0133067  Sterimol/B1: 2.13308  Sterimol/B2: 2.30287  Sterimol/B3: 2.90767
  Sterimol/B4: 5.5916  Sterimol/L: 9.47229 
 
 Surface and Volume Properties
  Accessible surface: 329.426  Positive charged surface: 89.7803  Negative charged surface: 239.646  Volume: 141.625
  Hydrophobic surface: 283.253  Hydrophilic surface: 46.173
 
 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.