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


ASINEX-ZINC00288908

 MMsINC code: MMs00109897
Type: Neutral
Formula: C17H27NO2
SMILES:   O1CCC(NCc2ccc(OC(C)C)cc2)CC1(C)C
InChI:   InChI=1/C17H27NO2/c1-13(2)20-16-7-5-14(6-8-16)12-18-15-9-10-19-17(3,4)11-15/h5-8,13,15,18H,9-12H2,1-4H3/t15-/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)=62.6105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.408 g/mol  logS: -3.17962  SlogP: 3.7874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551609  Sterimol/B1: 2.15747  Sterimol/B2: 3.78036  Sterimol/B3: 4.66898
  Sterimol/B4: 4.90057  Sterimol/L: 17.2708 
 
 Surface and Volume Properties
  Accessible surface: 564.836  Positive charged surface: 406.209  Negative charged surface: 158.627  Volume: 300.625
  Hydrophobic surface: 454.187  Hydrophilic surface: 110.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00109898
ASINEX-ZINC00288908