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


PUBCHEM-ZINC05285017

 MMsINC code: MMs03232837
Type: Neutral
Formula: C15H23N
SMILES:   N(C(C)c1ccccc1)C(C(C)C)CC=C
InChI:   InChI=1/C15H23N/c1-5-9-15(12(2)3)16-13(4)14-10-7-6-8-11-14/h5-8,10-13,15-16H,1,9H2,2-4H3/t13-,15+/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)=50.0901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.356 g/mol  logS: -2.87494  SlogP: 4.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22437  Sterimol/B1: 2.55831  Sterimol/B2: 3.71793  Sterimol/B3: 4.09755
  Sterimol/B4: 7.76471  Sterimol/L: 12.3899 
 
 Surface and Volume Properties
  Accessible surface: 482.847  Positive charged surface: 305.499  Negative charged surface: 177.349  Volume: 257.375
  Hydrophobic surface: 384.337  Hydrophilic surface: 98.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03232838
PUBCHEM-ZINC05285017