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


CHEMBRIDGE-ZINC04134226

 MMsINC code: MMs00762776
Type: Neutral
Formula: C23H36N2
SMILES:   N1(CCN(CC1)C1CCCCCC1)C1CCC(CC1)c1ccccc1
InChI:   InChI=1/C23H36N2/c1-2-7-11-22(10-6-1)24-16-18-25(19-17-24)23-14-12-21(13-15-23)20-8-4-3-5-9-20/h3-5,8-9,21-23H,1-2,6-7,10-19H2/t21-,23-

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)=104.127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.555 g/mol  logS: -4.49482  SlogP: 5.0532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473344  Sterimol/B1: 3.41323  Sterimol/B2: 3.49944  Sterimol/B3: 3.60367
  Sterimol/B4: 4.2781  Sterimol/L: 20.5697 
 
 Surface and Volume Properties
  Accessible surface: 643.284  Positive charged surface: 494.393  Negative charged surface: 148.891  Volume: 372.125
  Hydrophobic surface: 640.751  Hydrophilic surface: 2.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00762777
CHEMBRIDGE-ZINC04134226