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PUBCHEM-ZINC05821509

 MMsINC code: MMs03400544
Type: Neutral
Formula: C10H20O4
SMILES:   O(C(O)C(OCCCC)=O)CCCC
InChI:   InChI=1/C10H20O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h9,11H,3-8H2,1-2H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.5141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.266 g/mol  logS: -1.90794  SlogP: 1.4648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026741  Sterimol/B1: 2.5292  Sterimol/B2: 2.57844  Sterimol/B3: 3.43922
  Sterimol/B4: 4.11423  Sterimol/L: 18.1246 
 
 Surface and Volume Properties
  Accessible surface: 490.394  Positive charged surface: 369.866  Negative charged surface: 120.528  Volume: 212.625
  Hydrophobic surface: 352.151  Hydrophilic surface: 138.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.