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


ENAMINE-ZINC02639162

 MMsINC code: MMs01267900
Type: Neutral
Formula: C16H19NO
SMILES:   OC(CNC(C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C16H19NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h2-11,13,16-18H,12H2,1H3/t13-,16-/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)=63.0157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.334 g/mol  logS: -3.01795  SlogP: 3.2618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863605  Sterimol/B1: 1.969  Sterimol/B2: 3.13725  Sterimol/B3: 4.49119
  Sterimol/B4: 5.89888  Sterimol/L: 16.099 
 
 Surface and Volume Properties
  Accessible surface: 510.821  Positive charged surface: 300.137  Negative charged surface: 210.683  Volume: 260
  Hydrophobic surface: 446.085  Hydrophilic surface: 64.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01267901
ENAMINE-ZINC02639162