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NCID-ZINC04990524

 MMsINC code: MMs02424622
Type: Neutral
Formula: C17H27NO9
SMILES:   O1C(C(NC(=O)C)COC(=O)C)C(OC1(C)C)C(OC(=O)C)COC(=O)C
InChI:   InChI=1/C17H27NO9/c1-9(19)18-13(7-23-10(2)20)15-16(27-17(5,6)26-15)14(25-12(4)22)8-24-11(3)21/h13-16H,7-8H2,1-6H3,(H,18,19)/t13-,14+,15+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=90.8564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.401 g/mol  logS: -2.16156  SlogP: 0.0691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263296  Sterimol/B1: 4.4985  Sterimol/B2: 4.77575  Sterimol/B3: 6.33265
  Sterimol/B4: 7.55983  Sterimol/L: 15.6198 
 
 Surface and Volume Properties
  Accessible surface: 664.352  Positive charged surface: 422.212  Negative charged surface: 242.14  Volume: 357.125
  Hydrophobic surface: 481.365  Hydrophilic surface: 182.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.