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PUBCHEM-ZINC01845903

 MMsINC code: MMs02823920
Type: Neutral
Formula: C5H9ClO3
SMILES:   ClC(OCCOCC)=O
InChI:   InChI=1/C5H9ClO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.2244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.577 g/mol  logS: -1.2898  SlogP: 1.3983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793795  Sterimol/B1: 2.57346  Sterimol/B2: 3.07525  Sterimol/B3: 3.53005
  Sterimol/B4: 4.39193  Sterimol/L: 11.4297 
 
 Surface and Volume Properties
  Accessible surface: 351.922  Positive charged surface: 207.991  Negative charged surface: 143.931  Volume: 135.875
  Hydrophobic surface: 190.957  Hydrophilic surface: 160.965
 
 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.