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


PUBCHEM-ZINC03733407

 MMsINC code: MMs03062175
Type: Neutral
Formula: C14H27N
SMILES:   N1CCC(CC)C1CCC1CCCCC1
InChI:   InChI=1/C14H27N/c1-2-13-10-11-15-14(13)9-8-12-6-4-3-5-7-12/h12-15H,2-11H2,1H3/t13-,14+/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)=17.6716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.377 g/mol  logS: -4.14511  SlogP: 3.735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568357  Sterimol/B1: 2.36877  Sterimol/B2: 2.9024  Sterimol/B3: 3.09039
  Sterimol/B4: 6.53729  Sterimol/L: 13.8554 
 
 Surface and Volume Properties
  Accessible surface: 474.606  Positive charged surface: 393.932  Negative charged surface: 80.6738  Volume: 251.75
  Hydrophobic surface: 430.31  Hydrophilic surface: 44.296
 
 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


MMs03062176
PUBCHEM-ZINC03733407