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ALFAAESAR-ZINC01606035

 MMsINC code: MMs00021488
Type: Neutral
Formula: C11H22O
SMILES:   O=C(CCCCCC)CCCC
InChI:   InChI=1/C11H22O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.37451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.296 g/mol  logS: -3.43147  SlogP: 3.7161  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0258319  Sterimol/B1: 2.37525  Sterimol/B2: 2.37535  Sterimol/B3: 2.43506
  Sterimol/B4: 3.41607  Sterimol/L: 17.2593 
 
 Surface and Volume Properties
  Accessible surface: 459.268  Positive charged surface: 362.921  Negative charged surface: 96.3474  Volume: 209.125
  Hydrophobic surface: 386.139  Hydrophilic surface: 73.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.