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


CHEMDIV-ZINC02451810

 MMsINC code: MMs00875805
Type: Neutral
Formula: C14H23NO5
SMILES:   O(CC(O)CN(CCO)CCO)c1cc(OC)ccc1
InChI:   InChI=1/C14H23NO5/c1-19-13-3-2-4-14(9-13)20-11-12(18)10-15(5-7-16)6-8-17/h2-4,9,12,16-18H,5-8,10-11H2,1H3/t12-/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)=103.235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.34 g/mol  logS: -0.77591  SlogP: -0.2785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467068  Sterimol/B1: 2.92  Sterimol/B2: 3.68589  Sterimol/B3: 3.8572
  Sterimol/B4: 5.42747  Sterimol/L: 16.7863 
 
 Surface and Volume Properties
  Accessible surface: 558.92  Positive charged surface: 444.1  Negative charged surface: 114.82  Volume: 281.125
  Hydrophobic surface: 423.768  Hydrophilic surface: 135.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs00875806
CHEMDIV-ZINC02451810