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IBS-ZINC02090874

 MMsINC code: MMs01782215
Type: Neutral
Formula: C14H27NO6
SMILES:   O1C(CO)C(OC)C(OC)C(NC(=O)C)C1OCCCC
InChI:   InChI=1/C14H27NO6/c1-5-6-7-20-14-11(15-9(2)17)13(19-4)12(18-3)10(8-16)21-14/h10-14,16H,5-8H2,1-4H3,(H,15,17)/t10-,11-,12-,13-,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.8709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.371 g/mol  logS: -1.21226  SlogP: 0.055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554534  Sterimol/B1: 3.07686  Sterimol/B2: 3.18284  Sterimol/B3: 5.74634
  Sterimol/B4: 7.17618  Sterimol/L: 15.9565 
 
 Surface and Volume Properties
  Accessible surface: 584.308  Positive charged surface: 470.148  Negative charged surface: 114.159  Volume: 301.125
  Hydrophobic surface: 459.004  Hydrophilic surface: 125.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.