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PUBCHEM-ZINC05751480

 MMsINC code: MMs03370854
Type: Neutral
Formula: C10H22O4
SMILES:   O(C(COC)C)CC(OCC(O)C)C
InChI:   InChI=1/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3/t8-,9+,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.282 g/mol  logS: -0.79755  SlogP: 0.8238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149238  Sterimol/B1: 2.35191  Sterimol/B2: 3.00383  Sterimol/B3: 4.76116
  Sterimol/B4: 6.07914  Sterimol/L: 12.4747 
 
 Surface and Volume Properties
  Accessible surface: 480.951  Positive charged surface: 400.393  Negative charged surface: 80.5582  Volume: 224.125
  Hydrophobic surface: 368.279  Hydrophilic surface: 112.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.