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ACROSORGANICS-ZINC00225408

 MMsINC code: MMs00006502
Type: Neutral
Formula: C6H2Cl4O2
SMILES:   Clc1c(O)c(Cl)c(Cl)c(O)c1Cl
InChI:   InChI=1/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.8889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.892 g/mol  logS: -3.59814  SlogP: 3.7114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183021  Sterimol/B1: 2.097  Sterimol/B2: 2.40392  Sterimol/B3: 4.74952
  Sterimol/B4: 4.75032  Sterimol/L: 9.05373 
 
 Surface and Volume Properties
  Accessible surface: 357.351  Positive charged surface: 94.0491  Negative charged surface: 263.302  Volume: 165.125
  Hydrophobic surface: 274.817  Hydrophilic surface: 82.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.