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PUBCHEM-ZINC04202515

 MMsINC code: MMs03098862
Type: Neutral
Formula: C20H42O2
SMILES:   OCCCCCCCCCCCCCCCCCCCCO
InChI:   InChI=1/C20H42O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h21-22H,1-20H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.77412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.554 g/mol  logS: -7.20562  SlogP: 5.9928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00825572  Sterimol/B1: 2.18057  Sterimol/B2: 2.37505  Sterimol/B3: 2.37598
  Sterimol/B4: 3.07351  Sterimol/L: 30.3465 
 
 Surface and Volume Properties
  Accessible surface: 759.232  Positive charged surface: 648.415  Negative charged surface: 110.818  Volume: 384.625
  Hydrophobic surface: 651.417  Hydrophilic surface: 107.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.