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


ASINEX-ZINC04992718

 MMsINC code: MMs00424884
Type: Neutral
Formula: C15H23NO
SMILES:   O1CCCC1CNCc1ccc(cc1)C(C)C
InChI:   InChI=1/C15H23NO/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3/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)=47.4296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.355 g/mol  logS: -3.32476  SlogP: 3.345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610625  Sterimol/B1: 3.38119  Sterimol/B2: 3.47277  Sterimol/B3: 3.71109
  Sterimol/B4: 4.49028  Sterimol/L: 16.8002 
 
 Surface and Volume Properties
  Accessible surface: 523.241  Positive charged surface: 393.781  Negative charged surface: 129.46  Volume: 259.625
  Hydrophobic surface: 453.637  Hydrophilic surface: 69.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00424885
ASINEX-ZINC04992718