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NCID-ZINC01603221

 MMsINC code: MMs02255957
Type: Neutral
Formula: C4H8Cl2O2
SMILES:   ClCOCCOCCl
InChI:   InChI=1/C4H8Cl2O2/c5-3-7-1-2-8-4-6/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.7866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.012 g/mol  logS: -0.81738  SlogP: 1.4122  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117866  Sterimol/B1: 2.39667  Sterimol/B2: 3.35198  Sterimol/B3: 3.66268
  Sterimol/B4: 3.82884  Sterimol/L: 10.2214 
 
 Surface and Volume Properties
  Accessible surface: 333.625  Positive charged surface: 179.453  Negative charged surface: 154.172  Volume: 132.875
  Hydrophobic surface: 147.444  Hydrophilic surface: 186.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.