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


CHEMBRIDGE-ZINC02498295

 MMsINC code: MMs00711724
Type: Neutral
Formula: C17H30N2
SMILES:   N(CCN(CCC(C)c1ccccc1)C)(CC)CC
InChI:   InChI=1/C17H30N2/c1-5-19(6-2)15-14-18(4)13-12-16(3)17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3/t16-/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)=58.9903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.441 g/mol  logS: -2.5871  SlogP: 3.4538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631387  Sterimol/B1: 2.53482  Sterimol/B2: 3.56467  Sterimol/B3: 4.04561
  Sterimol/B4: 6.22595  Sterimol/L: 17.0759 
 
 Surface and Volume Properties
  Accessible surface: 578.208  Positive charged surface: 432.212  Negative charged surface: 145.996  Volume: 308.75
  Hydrophobic surface: 512.389  Hydrophilic surface: 65.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00711725
CHEMBRIDGE-ZINC02498295