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


CHEMDIV-ZINC00215763

 MMsINC code: MMs00841777
Type: Neutral
Formula: C16H23N2+
SMILES:   [NH2+](Cc1c2c([nH]c1)cccc2)C1CCCCCC1
InChI:   InChI=1/C16H22N2/c1-2-4-8-14(7-3-1)17-11-13-12-18-16-10-6-5-9-15(13)16/h5-6,9-10,12,14,17-18H,1-4,7-8,11H2/p+1

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)=26.2078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.374 g/mol  logS: -3.37725  SlogP: 3.2205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661421  Sterimol/B1: 2.4917  Sterimol/B2: 2.73966  Sterimol/B3: 3.93465
  Sterimol/B4: 6.44562  Sterimol/L: 15.2292 
 
 Surface and Volume Properties
  Accessible surface: 509.244  Positive charged surface: 363.85  Negative charged surface: 140.77  Volume: 268.25
  Hydrophobic surface: 441.208  Hydrophilic surface: 68.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs00841778
CHEMDIV-ZINC00215763