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


ENAMINE-ZINC04745077

 MMsINC code: MMs01551495
Type: Neutral
Formula: C17H27NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C)C1OCCC
InChI:   InChI=1/C17H27NO9/c1-6-7-23-17-14(18-9(2)19)16(26-12(5)22)15(25-11(4)21)13(27-17)8-24-10(3)20/h13-17H,6-8H2,1-5H3,(H,18,19)/t13-,14+,15+,16-,17+/m0/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)=58.9902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.401 g/mol  logS: -1.86089  SlogP: 0.0691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245079  Sterimol/B1: 2.56927  Sterimol/B2: 5.02635  Sterimol/B3: 5.14335
  Sterimol/B4: 8.94656  Sterimol/L: 13.514 
 
 Surface and Volume Properties
  Accessible surface: 658.525  Positive charged surface: 433.32  Negative charged surface: 225.205  Volume: 357.5
  Hydrophobic surface: 493.941  Hydrophilic surface: 164.584
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.