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NCID-ZINC05664151

 MMsINC code: MMs02484918
Type: Neutral
Formula: C15H23NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC)C1OC(=O)C
InChI:   InChI=1/C15H23NO9/c1-7(17)21-6-11-13(22-8(2)18)14(23-9(3)19)12(16-5)15(25-11)24-10(4)20/h11-16H,6H2,1-5H3/t11-,12+,13-,14-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.7751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.347 g/mol  logS: -1.19181  SlogP: -0.7111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111416  Sterimol/B1: 2.42007  Sterimol/B2: 3.36953  Sterimol/B3: 4.28776
  Sterimol/B4: 10.2508  Sterimol/L: 14.1787 
 
 Surface and Volume Properties
  Accessible surface: 621.134  Positive charged surface: 414.71  Negative charged surface: 206.423  Volume: 322.875
  Hydrophobic surface: 471.776  Hydrophilic surface: 149.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.