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PUBCHEM-ZINC05647207

 MMsINC code: MMs03334080
Type: Neutral
Formula: C11H22O3
SMILES:   O1C(COC1C(CCCC)CC)CO
InChI:   InChI=1/C11H22O3/c1-3-5-6-9(4-2)11-13-8-10(7-12)14-11/h9-12H,3-8H2,1-2H3/t9-,10-,11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.49448  SlogP: 1.9366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102414  Sterimol/B1: 2.41909  Sterimol/B2: 2.85157  Sterimol/B3: 4.15968
  Sterimol/B4: 7.41596  Sterimol/L: 13.8148 
 
 Surface and Volume Properties
  Accessible surface: 456.989  Positive charged surface: 363.35  Negative charged surface: 93.6388  Volume: 220.125
  Hydrophobic surface: 342.072  Hydrophilic surface: 114.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.