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


PUBCHEM-ZINC03704956

 MMsINC code: MMs03050823
Type: Neutral
Formula: C14H21N
SMILES:   N1CC(CC1c1cc(C)c(cc1C)C)C
InChI:   InChI=1/C14H21N/c1-9-5-14(15-8-9)13-7-11(3)10(2)6-12(13)4/h6-7,9,14-15H,5,8H2,1-4H3/t9-,14-/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)=61.3959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.329 g/mol  logS: -3.30129  SlogP: 3.37786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0970249  Sterimol/B1: 3.22574  Sterimol/B2: 3.87358  Sterimol/B3: 4.5785
  Sterimol/B4: 5.09686  Sterimol/L: 12.9896 
 
 Surface and Volume Properties
  Accessible surface: 444.476  Positive charged surface: 311.162  Negative charged surface: 133.314  Volume: 234
  Hydrophobic surface: 407.868  Hydrophilic surface: 36.608
 
 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


MMs03050824
PUBCHEM-ZINC03704956