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


PUBCHEM-ZINC02035137

MMsINC code: MMs02860890

Type: Neutral
Formula: C17H27NO2
SMILES:   O(CCN(CC)CC)c1ccc(cc1)C(=O)CC(C)C
InChI:   InChI=1/C17H27NO2/c1-5-18(6-2)11-12-20-16-9-7-15(8-10-16)17(19)13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3

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)=76.4885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.408 g/mol  logS: -3.53205  SlogP: 3.636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367546  Sterimol/B1: 2.31201  Sterimol/B2: 3.01534  Sterimol/B3: 3.85942
  Sterimol/B4: 6.40968  Sterimol/L: 18.0708 
 
 Surface and Volume Properties
  Accessible surface: 583.114  Positive charged surface: 416.174  Negative charged surface: 166.939  Volume: 304.625
  Hydrophobic surface: 472.201  Hydrophilic surface: 110.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02860891
PUBCHEM-ZINC02035137