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


NCID-ZINC01755736

 MMsINC code: MMs02364502
Type: Neutral
Formula: C12H23NO6
SMILES:   O(C(=O)CN(C(OCC)OCC)C(OCC)=O)CC
InChI:   InChI=1/C12H23NO6/c1-5-16-10(14)9-13(11(15)17-6-2)12(18-7-3)19-8-4/h12H,5-9H2,1-4H3

Download   format file 
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)=-13.1205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.317 g/mol  logS: -1.17272  SlogP: 1.3646  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.205591  Sterimol/B1: 2.51313  Sterimol/B2: 3.33004  Sterimol/B3: 6.25116
  Sterimol/B4: 7.44816  Sterimol/L: 14.4081 
 
 Surface and Volume Properties
  Accessible surface: 565.128  Positive charged surface: 420.384  Negative charged surface: 144.744  Volume: 274.25
  Hydrophobic surface: 406.409  Hydrophilic surface: 158.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.