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PUBCHEM-ZINC05514115

 MMsINC code: MMs03293813
Type: Neutral
Formula: C7H16O2
SMILES:   O(CCCC)CCOC
InChI:   InChI=1/C7H16O2/c1-3-4-5-9-7-6-8-2/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.9557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.203 g/mol  logS: -0.92002  SlogP: 1.4495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475075  Sterimol/B1: 2.7148  Sterimol/B2: 2.76457  Sterimol/B3: 2.85927
  Sterimol/B4: 4.42566  Sterimol/L: 13.4677 
 
 Surface and Volume Properties
  Accessible surface: 380.934  Positive charged surface: 334.845  Negative charged surface: 46.0889  Volume: 154.625
  Hydrophobic surface: 345.223  Hydrophilic surface: 35.711
 
 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.