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PUBCHEM-ZINC02516079

 MMsINC code: MMs02891469
Type: Neutral
Formula: C10H22O3
SMILES:   O(C(C)(C)C)CCOCCOCC
InChI:   InChI=1/C10H22O3/c1-5-11-6-7-12-8-9-13-10(2,3)4/h5-9H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.7044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.283 g/mol  logS: -1.3273  SlogP: 1.8546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102167  Sterimol/B1: 2.15881  Sterimol/B2: 2.34033  Sterimol/B3: 4.45543
  Sterimol/B4: 5.95176  Sterimol/L: 13.6922 
 
 Surface and Volume Properties
  Accessible surface: 481.728  Positive charged surface: 391.09  Negative charged surface: 90.6375  Volume: 213.125
  Hydrophobic surface: 391.09  Hydrophilic surface: 90.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.