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MDPI-ZINC04204382

 MMsINC code: MMs02184133
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.2673 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: 0.155133  Sterimol/B1: 3.30342  Sterimol/B2: 4.00306  Sterimol/B3: 5.44955
  Sterimol/B4: 8.70372  Sterimol/L: 15.3637 
 
 Surface and Volume Properties
  Accessible surface: 655.865  Positive charged surface: 397.551  Negative charged surface: 258.314  Volume: 338.875
  Hydrophobic surface: 480.434  Hydrophilic surface: 175.431
 
 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.