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BACHEM-ZINC02555267

 MMsINC code: MMs00483671
Type: Neutral
Formula: C7H16O2
SMILES:   O(CCCCC)CCO
InChI:   InChI=1/C7H16O2/c1-2-3-4-6-9-7-5-8/h8H,2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.0663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.203 g/mol  logS: -1.09006  SlogP: 1.1855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469254  Sterimol/B1: 2.51444  Sterimol/B2: 2.8238  Sterimol/B3: 2.94767
  Sterimol/B4: 3.12917  Sterimol/L: 13.3023 
 
 Surface and Volume Properties
  Accessible surface: 374.618  Positive charged surface: 314.074  Negative charged surface: 60.5436  Volume: 155.5
  Hydrophobic surface: 295.392  Hydrophilic surface: 79.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.