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


PUBCHEM-ZINC06483015

 MMsINC code: MMs03759400
Type: Neutral
Formula: C13H27NO7
SMILES:   OC1C(O)C(O)CN(CCOCCOCCOC)C1CO
InChI:   InChI=1/C13H27NO7/c1-19-4-5-21-7-6-20-3-2-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11+,12-,13-/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)=116.804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.359 g/mol  logS: 0.74497  SlogP: -2.5748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117357  Sterimol/B1: 2.33438  Sterimol/B2: 4.29207  Sterimol/B3: 5.47834
  Sterimol/B4: 6.18064  Sterimol/L: 16.0079 
 
 Surface and Volume Properties
  Accessible surface: 584.074  Positive charged surface: 517.927  Negative charged surface: 66.1473  Volume: 295.875
  Hydrophobic surface: 411.377  Hydrophilic surface: 172.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03759401
PUBCHEM-ZINC06483015