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


CHEMBRIDGE-ZINC04997018

 MMsINC code: MMs00824211
Type: Neutral
Formula: C17H24N2
SMILES:   [nH]1cc(c2c1cccc2)CCNC1CCCCC1C
InChI:   InChI=1/C17H24N2/c1-13-6-2-4-8-16(13)18-11-10-14-12-19-17-9-5-3-7-15(14)17/h3,5,7,9,12-13,16,18-19H,2,4,6,8,10-11H2,1H3/t13-,16-/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)=31.8901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.393 g/mol  logS: -3.14966  SlogP: 3.87867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597264  Sterimol/B1: 2.46889  Sterimol/B2: 3.21386  Sterimol/B3: 3.50598
  Sterimol/B4: 6.77931  Sterimol/L: 15.0943 
 
 Surface and Volume Properties
  Accessible surface: 527.826  Positive charged surface: 374.866  Negative charged surface: 148.602  Volume: 282.125
  Hydrophobic surface: 450.674  Hydrophilic surface: 77.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00824212
CHEMBRIDGE-ZINC04997018