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ENAMINE-ZINC03287663

 MMsINC code: MMs01351405
Type: Neutral
Formula: C15H24O6
SMILES:   O1CCCC1COC(=O)CCCC(OCC1OCCC1)=O
InChI:   InChI=1/C15H24O6/c16-14(20-10-12-4-2-8-18-12)6-1-7-15(17)21-11-13-5-3-9-19-13/h12-13H,1-11H2/t12-,13+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.0856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.351 g/mol  logS: -1.76253  SlogP: 1.6011  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0209539  Sterimol/B1: 2.55433  Sterimol/B2: 3.37632  Sterimol/B3: 3.63861
  Sterimol/B4: 4.11327  Sterimol/L: 21.4683 
 
 Surface and Volume Properties
  Accessible surface: 609.927  Positive charged surface: 483.739  Negative charged surface: 126.188  Volume: 290
  Hydrophobic surface: 508.366  Hydrophilic surface: 101.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.