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PUBCHEM-ZINC05758015

 MMsINC code: MMs03372851
Type: Neutral
Formula: C20H42O
SMILES:   OCCCCCCCCCCCCCCCCCC(C)C
InChI:   InChI=1/C20H42O/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h20-21H,3-19H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.55091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.555 g/mol  logS: -8.67572  SlogP: 6.8763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104735  Sterimol/B1: 2.12017  Sterimol/B2: 2.50621  Sterimol/B3: 3.4864
  Sterimol/B4: 4.3889  Sterimol/L: 28.1613 
 
 Surface and Volume Properties
  Accessible surface: 744.997  Positive charged surface: 626.584  Negative charged surface: 118.413  Volume: 368.625
  Hydrophobic surface: 649.1  Hydrophilic surface: 95.897
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.