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


ASINEX-ZINC00263187

 MMsINC code: MMs00102311
Type: Neutral
Formula: C13H21NO3
SMILES:   O(C)c1ccc(OC)cc1CNC(COC)C
InChI:   InChI=1/C13H21NO3/c1-10(9-15-2)14-8-11-7-12(16-3)5-6-13(11)17-4/h5-7,10,14H,8-9H2,1-4H3/t10-/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)=62.9225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.315 g/mol  logS: -1.69599  SlogP: 2.0947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132475  Sterimol/B1: 2.34606  Sterimol/B2: 2.60137  Sterimol/B3: 5.59803
  Sterimol/B4: 7.69534  Sterimol/L: 14.4174 
 
 Surface and Volume Properties
  Accessible surface: 507.936  Positive charged surface: 432.991  Negative charged surface: 74.9444  Volume: 254.875
  Hydrophobic surface: 458.802  Hydrophilic surface: 49.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00102312
ASINEX-ZINC00263187