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


CHEMBRIDGE-ZINC02822312

 MMsINC code: MMs00719204
Type: Neutral
Formula: C13H21NO
SMILES:   O(CCCN(C)C)c1c(cccc1C)C
InChI:   InChI=1/C13H21NO/c1-11-7-5-8-12(2)13(11)15-10-6-9-14(3)4/h5,7-8H,6,9-10H2,1-4H3

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)=47.2626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.317 g/mol  logS: -1.85586  SlogP: 2.63394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058099  Sterimol/B1: 2.16815  Sterimol/B2: 2.38827  Sterimol/B3: 3.69723
  Sterimol/B4: 7.18042  Sterimol/L: 14.7061 
 
 Surface and Volume Properties
  Accessible surface: 475.716  Positive charged surface: 360.394  Negative charged surface: 115.323  Volume: 237.75
  Hydrophobic surface: 467.774  Hydrophilic surface: 7.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00719205
CHEMBRIDGE-ZINC02822312