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


NANOSIN-ZINC04428141

 MMsINC code: MMs02207455
Type: Neutral
Formula: C15H27N
SMILES:   N(C1CCCCC1CC=C)C1CCCCC1
InChI:   InChI=1/C15H27N/c1-2-8-13-9-6-7-12-15(13)16-14-10-4-3-5-11-14/h2,13-16H,1,3-12H2/t13-,15-/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)=18.2431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.388 g/mol  logS: -3.17937  SlogP: 4.0436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898122  Sterimol/B1: 2.097  Sterimol/B2: 3.10173  Sterimol/B3: 3.39384
  Sterimol/B4: 8.08953  Sterimol/L: 13.5349 
 
 Surface and Volume Properties
  Accessible surface: 479.478  Positive charged surface: 371.789  Negative charged surface: 107.689  Volume: 261.125
  Hydrophobic surface: 424.702  Hydrophilic surface: 54.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02207456
NANOSIN-ZINC04428141