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PUBCHEM-ZINC05532279

 MMsINC code: MMs03300266
Type: Neutral
Formula: C10H20O2
SMILES:   O1CCCC1CCCCC(O)C
InChI:   InChI=1/C10H20O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h9-11H,2-8H2,1H3/t9-,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.268 g/mol  logS: -1.21731  SlogP: 2.1066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643651  Sterimol/B1: 2.73693  Sterimol/B2: 2.87928  Sterimol/B3: 3.44819
  Sterimol/B4: 3.89546  Sterimol/L: 14.5388 
 
 Surface and Volume Properties
  Accessible surface: 429.475  Positive charged surface: 352.615  Negative charged surface: 76.8598  Volume: 194.25
  Hydrophobic surface: 355.533  Hydrophilic surface: 73.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.