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PUBCHEM-ZINC05131960

 MMsINC code: MMs03206893
Type: Neutral
Formula: C2H4Cl2O
SMILES:   ClC(O)CCl
InChI:   InChI=1/C2H4Cl2O/c3-1-2(4)5/h2,5H,1H2/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=8.44004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.959 g/mol  logS: -0.79929  SlogP: 1.2023  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.378586  Sterimol/B1: 2.51979  Sterimol/B2: 2.61236  Sterimol/B3: 3.76305
  Sterimol/B4: 3.86504  Sterimol/L: 7.00925 
 
 Surface and Volume Properties
  Accessible surface: 247.109  Positive charged surface: 102.439  Negative charged surface: 144.671  Volume: 86.875
  Hydrophobic surface: 69.9014  Hydrophilic surface: 177.2076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.