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


NCID-ZINC05065159

 MMsINC code: MMs02436610
Type: Tautomer
Formula: C15H21N
SMILES:   N(CC)C1C2CC(CC2)C1c1ccccc1
InChI:   InChI=1/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3/t12-,13+,14-,15+/m0/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)=136.915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.34 g/mol  logS: -2.75772  SlogP: 3.1782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.307308  Sterimol/B1: 2.1938  Sterimol/B2: 3.40653  Sterimol/B3: 3.73949
  Sterimol/B4: 8.15184  Sterimol/L: 10.7904 
 
 Surface and Volume Properties
  Accessible surface: 433.661  Positive charged surface: 309.279  Negative charged surface: 124.382  Volume: 235.875
  Hydrophobic surface: 407.559  Hydrophilic surface: 26.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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:  
   
Parent related molecule:


MMs02436609
NCID-ZINC05065159