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PUBCHEM-ZINC02569624

 MMsINC code: MMs02902508
Type: Neutral
Formula: C8H16O
SMILES:   OCCCCCCC=C
InChI:   InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h2,9H,1,3-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.66679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.215 g/mol  logS: -2.14048  SlogP: 2.1152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536751  Sterimol/B1: 2.12527  Sterimol/B2: 2.7309  Sterimol/B3: 2.83137
  Sterimol/B4: 3.42128  Sterimol/L: 14.1012 
 
 Surface and Volume Properties
  Accessible surface: 375.385  Positive charged surface: 283.363  Negative charged surface: 92.022  Volume: 156.75
  Hydrophobic surface: 270.921  Hydrophilic surface: 104.464
 
 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.