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NCID-ZINC04530913

 MMsINC code: MMs02389974
Type: Neutral
Formula: C14H23NO6
SMILES:   O1C(COC1(C)C)C1OC2OC(OC2C1NC(=O)C)(C)C
InChI:   InChI=1/C14H23NO6/c1-7(16)15-9-10(8-6-17-13(2,3)19-8)18-12-11(9)20-14(4,5)21-12/h8-12H,6H2,1-5H3,(H,15,16)/t8-,9+,10-,11+,12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.339 g/mol  logS: -2.23168  SlogP: 0.519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108361  Sterimol/B1: 2.23252  Sterimol/B2: 3.65726  Sterimol/B3: 3.68438
  Sterimol/B4: 7.77334  Sterimol/L: 14.0972 
 
 Surface and Volume Properties
  Accessible surface: 529.043  Positive charged surface: 365.501  Negative charged surface: 163.542  Volume: 282.25
  Hydrophobic surface: 364.819  Hydrophilic surface: 164.224
 
 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.