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ACROSORGANICS-ZINC00388308

 MMsINC code: MMs00006955
Type: Neutral
Formula: C6H3Cl3O
SMILES:   Clc1c(O)c(Cl)ccc1Cl
InChI:   InChI=1/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.9979 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: 0.0144693  Sterimol/B1: 2.14241  Sterimol/B2: 2.24251  Sterimol/B3: 2.7947
  Sterimol/B4: 6.4464  Sterimol/L: 8.74083 
 
 Surface and Volume Properties
  Accessible surface: 326.175  Positive charged surface: 92.0722  Negative charged surface: 234.103  Volume: 143.375
  Hydrophobic surface: 285.117  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.