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PUBCHEM-ZINC05353732

 MMsINC code: MMs03246222
Type: Neutral
Formula: C10H22O2
SMILES:   O(C(C)(C)C)CCOC(C)(C)C
InChI:   InChI=1/C10H22O2/c1-9(2,3)11-7-8-12-10(4,5)6/h7-8H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.9677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.284 g/mol  logS: -1.83908  SlogP: 2.6166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138844  Sterimol/B1: 1.969  Sterimol/B2: 3.51762  Sterimol/B3: 3.72779
  Sterimol/B4: 4.89004  Sterimol/L: 12.1009 
 
 Surface and Volume Properties
  Accessible surface: 430.83  Positive charged surface: 315.259  Negative charged surface: 115.571  Volume: 202.5
  Hydrophobic surface: 315.259  Hydrophilic surface: 115.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.