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


CHEMBRIDGE-ZINC02810935

 MMsINC code: MMs00717089
Type: Neutral
Formula: C15H24N2
SMILES:   N1(CCN(CC1)CC)Cc1ccc(cc1)CC
InChI:   InChI=1/C15H24N2/c1-3-14-5-7-15(8-6-14)13-17-11-9-16(4-2)10-12-17/h5-8H,3-4,9-13H2,1-2H3

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)=63.3985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.371 g/mol  logS: -2.61941  SlogP: 2.65287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675854  Sterimol/B1: 3.40988  Sterimol/B2: 3.49758  Sterimol/B3: 3.57428
  Sterimol/B4: 4.97258  Sterimol/L: 16.0368 
 
 Surface and Volume Properties
  Accessible surface: 505.208  Positive charged surface: 394.36  Negative charged surface: 110.847  Volume: 261.25
  Hydrophobic surface: 450.191  Hydrophilic surface: 55.017
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00717090
CHEMBRIDGE-ZINC02810935