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ACROSORGANICS-ZINC01680237

 MMsINC code: MMs00010713
Type: Neutral
Formula: C10H20O
SMILES:   OCCCCCCCCC=C
InChI:   InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.72946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -3.17092  SlogP: 2.8954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366131  Sterimol/B1: 2.13569  Sterimol/B2: 2.62805  Sterimol/B3: 2.82954
  Sterimol/B4: 3.39677  Sterimol/L: 16.5884 
 
 Surface and Volume Properties
  Accessible surface: 437.25  Positive charged surface: 338.728  Negative charged surface: 98.5227  Volume: 192
  Hydrophobic surface: 332.786  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.