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ALFAAESAR-ZINC05227086

 MMsINC code: MMs00025649
Type: Neutral
Formula: C16H23NO10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C)C1OC(=O)C
InChI:   InChI=1/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13+,14+,15+,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.2213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.357 g/mol  logS: -1.6048  SlogP: -0.7944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.361057  Sterimol/B1: 2.67102  Sterimol/B2: 5.24276  Sterimol/B3: 6.75441
  Sterimol/B4: 6.86673  Sterimol/L: 13.7491 
 
 Surface and Volume Properties
  Accessible surface: 622.598  Positive charged surface: 372.862  Negative charged surface: 249.736  Volume: 343
  Hydrophobic surface: 440.013  Hydrophilic surface: 182.585
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.