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


PUBCHEM-ZINC05820055

 MMsINC code: MMs03399069
Type: Neutral
Formula: C14H25N
SMILES:   NC12CC3(CC(C1)CC(C3)C2)CCCC
InChI:   InChI=1/C14H25N/c1-2-3-4-13-6-11-5-12(7-13)9-14(15,8-11)10-13/h11-12H,2-10,15H2,1H3/t11-,12+,13-,14-

Download   format file 
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)=35.54 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.361 g/mol  logS: -4.16926  SlogP: 3.4743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17049  Sterimol/B1: 3.69931  Sterimol/B2: 3.78655  Sterimol/B3: 3.91089
  Sterimol/B4: 4.14543  Sterimol/L: 13.148 
 
 Surface and Volume Properties
  Accessible surface: 429.353  Positive charged surface: 349.585  Negative charged surface: 79.7682  Volume: 231.625
  Hydrophobic surface: 353.365  Hydrophilic surface: 75.988
 
 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


MMs03399070
PUBCHEM-ZINC05820055