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ACROSORGANICS-ZINC01693210

 MMsINC code: MMs00011151
Type: Neutral
Formula: C11H22O
SMILES:   OCCCCCCCCCC=C
InChI:   InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.62517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.296 g/mol  logS: -3.68614  SlogP: 3.2855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.030705  Sterimol/B1: 2.11886  Sterimol/B2: 2.76449  Sterimol/B3: 2.78286
  Sterimol/B4: 3.4234  Sterimol/L: 17.8516 
 
 Surface and Volume Properties
  Accessible surface: 471.225  Positive charged surface: 368.599  Negative charged surface: 102.626  Volume: 210.375
  Hydrophobic surface: 364.81  Hydrophilic surface: 106.415
 
 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.