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


PUBCHEM-ZINC04980790

 MMsINC code: MMs03187601
Type: Neutral
Formula: C17H26N2
SMILES:   N(C)(C)c1ccc(cc1)\C=C\CN1CCC(CC1)C
InChI:   InChI=1/C17H26N2/c1-15-10-13-19(14-11-15)12-4-5-16-6-8-17(9-7-16)18(2)3/h4-9,15H,10-14H2,1-3H3/b5-4+

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)=64.5141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.409 g/mol  logS: -2.95893  SlogP: 3.4977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385293  Sterimol/B1: 2.46751  Sterimol/B2: 2.54498  Sterimol/B3: 4.39367
  Sterimol/B4: 5.95873  Sterimol/L: 17.568 
 
 Surface and Volume Properties
  Accessible surface: 552.632  Positive charged surface: 437.451  Negative charged surface: 115.181  Volume: 293.25
  Hydrophobic surface: 514.759  Hydrophilic surface: 37.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03187602
PUBCHEM-ZINC04980790