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NCID-ZINC04742916

 MMsINC code: MMs02399289
Type: Neutral
Formula: C2H4Cl2O
SMILES:   ClC(Cl)CO
InChI:   InChI=1/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.3614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.959 g/mol  logS: -0.79929  SlogP: 1.2023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.38044  Sterimol/B1: 2.07669  Sterimol/B2: 3.34333  Sterimol/B3: 3.50948
  Sterimol/B4: 3.52266  Sterimol/L: 6.96163 
 
 Surface and Volume Properties
  Accessible surface: 249.197  Positive charged surface: 103.03  Negative charged surface: 146.167  Volume: 87.25
  Hydrophobic surface: 68.4964  Hydrophilic surface: 180.7006
 
 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.