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


PUBCHEM-ZINC03734943

 MMsINC code: MMs03063231
Type: Neutral
Formula: C14H22N2
SMILES:   N1CCCCCC1c1cc(N(C)C)ccc1
InChI:   InChI=1/C14H22N2/c1-16(2)13-8-6-7-12(11-13)14-9-4-3-5-10-15-14/h6-8,11,14-15H,3-5,9-10H2,1-2H3/t14-/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)=61.8074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.344 g/mol  logS: -2.00871  SlogP: 3.0528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0880073  Sterimol/B1: 3.68362  Sterimol/B2: 4.04444  Sterimol/B3: 4.09046
  Sterimol/B4: 4.89398  Sterimol/L: 13.8572 
 
 Surface and Volume Properties
  Accessible surface: 464.997  Positive charged surface: 373.778  Negative charged surface: 91.2198  Volume: 245.125
  Hydrophobic surface: 452.947  Hydrophilic surface: 12.05
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03063232
PUBCHEM-ZINC03734943