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ACROSORGANICS-ZINC02168258

 MMsINC code: MMs00013058
Type: Neutral
Formula: C8H6Cl2O
SMILES:   Clc1ccc(cc1)CC(Cl)=O
InChI:   InChI=1/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2

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Potential Energy
Epot(MMFF94)=31.9955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.041 g/mol  logS: -3.30679  SlogP: 2.91337  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0985365  Sterimol/B1: 2.42084  Sterimol/B2: 2.42253  Sterimol/B3: 3.7291
  Sterimol/B4: 4.81677  Sterimol/L: 12.4809 
 
 Surface and Volume Properties
  Accessible surface: 357.781  Positive charged surface: 126.139  Negative charged surface: 231.643  Volume: 159.375
  Hydrophobic surface: 245.927  Hydrophilic surface: 111.854
 
 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.