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


PUBCHEM-ZINC02132373

 MMsINC code: MMs02874436
Type: Neutral
Formula: C15H27N
SMILES:   N(CC1CCCCC1)CCC=1CCCCC=1
InChI:   InChI=1/C15H27N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h7,15-16H,1-6,8-13H2

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)=13.5506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.388 g/mol  logS: -3.4992  SlogP: 4.0468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567432  Sterimol/B1: 3.21274  Sterimol/B2: 3.21781  Sterimol/B3: 3.59911
  Sterimol/B4: 4.21184  Sterimol/L: 16.5367 
 
 Surface and Volume Properties
  Accessible surface: 507.577  Positive charged surface: 419.401  Negative charged surface: 88.1757  Volume: 260.25
  Hydrophobic surface: 482.076  Hydrophilic surface: 25.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs02874437
PUBCHEM-ZINC02132373