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PUBCHEM-ZINC06692589

 MMsINC code: MMs03840219
Type: Neutral
Formula: C14H22N2O8
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C)C1N
InChI:   InChI=1/C14H22N2O8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5,15H2,1-4H3,(H,16,17)/t10-,11-,12+,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=54.7572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.336 g/mol  logS: -0.88063  SlogP: -1.3988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162653  Sterimol/B1: 2.55972  Sterimol/B2: 4.2648  Sterimol/B3: 4.79328
  Sterimol/B4: 8.2594  Sterimol/L: 15.062 
 
 Surface and Volume Properties
  Accessible surface: 611.025  Positive charged surface: 391.24  Negative charged surface: 219.785  Volume: 305.625
  Hydrophobic surface: 412.874  Hydrophilic surface: 198.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.