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


PUBCHEM-ZINC05688791

 MMsINC code: MMs03349182
Type: Neutral
Formula: C14H25N
SMILES:   N(CCC12CC3CC(C1)CC(C2)C3)(C)C
InChI:   InChI=1/C14H25N/c1-15(2)4-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,3-10H2,1-2H3/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)=48.566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.361 g/mol  logS: -4.34827  SlogP: 3.1545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175484  Sterimol/B1: 2.76715  Sterimol/B2: 3.64372  Sterimol/B3: 4.17533
  Sterimol/B4: 4.95371  Sterimol/L: 12.4392 
 
 Surface and Volume Properties
  Accessible surface: 428.552  Positive charged surface: 383.517  Negative charged surface: 45.0353  Volume: 234.625
  Hydrophobic surface: 425.744  Hydrophilic surface: 2.808
 
 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


MMs03349183
PUBCHEM-ZINC05688791