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OAKWOOD-ZINC02565722

 MMsINC code: MMs02546284
Type: Neutral
Formula: C10H18O
SMILES:   OCCCCC#CCCCC
InChI:   InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-4,7-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.17515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.78162  SlogP: 2.34261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254742  Sterimol/B1: 2.37531  Sterimol/B2: 2.37591  Sterimol/B3: 2.53287
  Sterimol/B4: 3.53578  Sterimol/L: 16.6183 
 
 Surface and Volume Properties
  Accessible surface: 437.325  Positive charged surface: 346.225  Negative charged surface: 91.1001  Volume: 187.5
  Hydrophobic surface: 329.538  Hydrophilic surface: 107.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.