logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05763872

 MMsINC code: MMs03377243
Type: Neutral
Formula: C14H27N3O6
SMILES:   O1C2C(OC3OC(CC(N)C13O)C)C(O)C(NC)C(O)C2NC
InChI:   InChI=1/C14H27N3O6/c1-5-4-6(15)14(20)13(21-5)22-12-10(19)7(16-2)9(18)8(17-3)11(12)23-14/h5-13,16-20H,4,15H2,1-3H3/t5-,6-,7-,8+,9+,10-,11+,12-,13+,14-/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=176.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.385 g/mol  logS: 0.45173  SlogP: -3.1674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151094  Sterimol/B1: 3.3169  Sterimol/B2: 4.82166  Sterimol/B3: 4.9258
  Sterimol/B4: 6.32166  Sterimol/L: 13.3795 
 
 Surface and Volume Properties
  Accessible surface: 524.66  Positive charged surface: 445.425  Negative charged surface: 79.2352  Volume: 300.25
  Hydrophobic surface: 337.245  Hydrophilic surface: 187.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.