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PUBCHEM-ZINC02042334

 MMsINC code: MMs02863512
Type: Neutral
Formula: C10H20O4
SMILES:   O(C(=O)CCOCC)CCC(OC)C
InChI:   InChI=1/C10H20O4/c1-4-13-7-6-10(11)14-8-5-9(2)12-3/h9H,4-8H2,1-3H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.7387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.266 g/mol  logS: -1.0221  SlogP: 1.3812  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.022854  Sterimol/B1: 2.52509  Sterimol/B2: 2.85816  Sterimol/B3: 3.3384
  Sterimol/B4: 4.37685  Sterimol/L: 16.9324 
 
 Surface and Volume Properties
  Accessible surface: 488.279  Positive charged surface: 392.118  Negative charged surface: 96.1606  Volume: 218.25
  Hydrophobic surface: 390.618  Hydrophilic surface: 97.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.