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ACROSORGANICS-ZINC00405270

 MMsINC code: MMs00007790
Type: Neutral
Formula: C6H3Cl3O
SMILES:   Clc1c(O)cc(Cl)cc1Cl
InChI:   InChI=1/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.3366 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: 0.0143209  Sterimol/B1: 2.14075  Sterimol/B2: 2.24531  Sterimol/B3: 2.94116
  Sterimol/B4: 6.38122  Sterimol/L: 8.65469 
 
 Surface and Volume Properties
  Accessible surface: 328.484  Positive charged surface: 87.7457  Negative charged surface: 240.738  Volume: 143.5
  Hydrophobic surface: 282.138  Hydrophilic surface: 46.346
 
 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.