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ACROSORGANICS-ZINC00388360

 MMsINC code: MMs00006974
Type: Neutral
Formula: C7H6Cl2O
SMILES:   Clc1c(OC)cccc1Cl
InChI:   InChI=1/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.9693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.03 g/mol  logS: -2.90384  SlogP: 3.002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217986  Sterimol/B1: 2.37366  Sterimol/B2: 2.37673  Sterimol/B3: 4.21218
  Sterimol/B4: 4.87988  Sterimol/L: 10.6192 
 
 Surface and Volume Properties
  Accessible surface: 336.762  Positive charged surface: 159.223  Negative charged surface: 177.539  Volume: 148.25
  Hydrophobic surface: 331.131  Hydrophilic surface: 5.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.