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


PUBCHEM-ZINC02020325

 MMsINC code: MMs02855723
Type: Neutral
Formula: C14H27N
SMILES:   N(CCCC)C1(C2CC(CC2)C1(C)C)C
InChI:   InChI=1/C14H27N/c1-5-6-9-15-14(4)12-8-7-11(10-12)13(14,2)3/h11-12,15H,5-10H2,1-4H3/t11-,12+,14+/m0/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)=85.1948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.377 g/mol  logS: -2.7033  SlogP: 3.5909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193887  Sterimol/B1: 3.73702  Sterimol/B2: 4.07772  Sterimol/B3: 4.20527
  Sterimol/B4: 4.31696  Sterimol/L: 13.1029 
 
 Surface and Volume Properties
  Accessible surface: 449.703  Positive charged surface: 339.585  Negative charged surface: 110.118  Volume: 245.75
  Hydrophobic surface: 377.968  Hydrophilic surface: 71.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02855724
PUBCHEM-ZINC02020325