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PUBCHEM-ZINC04556839

 MMsINC code: MMs03133660
Type: Neutral
Formula: C15H27NO11
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C)C1OCC1OC(OC)C(O)C(O)C1O
InChI:   InChI=1/C15H27NO11/c1-5(18)16-8-11(21)9(19)6(3-17)26-14(8)25-4-7-10(20)12(22)13(23)15(24-2)27-7/h6-15,17,19-23H,3-4H2,1-2H3,(H,16,18)/t6-,7+,8+,9+,10-,11-,12-,13-,14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.377 g/mol  logS: 0.81507  SlogP: -4.5993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152623  Sterimol/B1: 2.41251  Sterimol/B2: 3.99192  Sterimol/B3: 4.07356
  Sterimol/B4: 9.09229  Sterimol/L: 15.0777 
 
 Surface and Volume Properties
  Accessible surface: 621.96  Positive charged surface: 497.794  Negative charged surface: 124.166  Volume: 339.125
  Hydrophobic surface: 346.319  Hydrophilic surface: 275.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.