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PUBCHEM-ZINC06357442

 MMsINC code: MMs03683783
Type: Neutral
Formula: C16H25NO8S
SMILES:   S(CC)C1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)C
InChI:   InChI=1/C16H25NO8S/c1-6-26-16-13(17-8(2)18)15(24-11(5)21)14(23-10(4)20)12(25-16)7-22-9(3)19/h12-16H,6-7H2,1-5H3,(H,17,18)/t12-,13-,14+,15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=90.015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.441 g/mol  logS: -2.50836  SlogP: 0.3956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27307  Sterimol/B1: 4.2328  Sterimol/B2: 5.11015  Sterimol/B3: 5.78883
  Sterimol/B4: 8.3317  Sterimol/L: 13.4877 
 
 Surface and Volume Properties
  Accessible surface: 644.75  Positive charged surface: 414.929  Negative charged surface: 229.821  Volume: 349.875
  Hydrophobic surface: 469.516  Hydrophilic surface: 175.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.