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


PUBCHEM-ZINC01855205

 MMsINC code: MMs02827936
Type: Neutral
Formula: C14H23N
SMILES:   N(C(CC)c1ccc(cc1)C)(CC)CC
InChI:   InChI=1/C14H23N/c1-5-14(15(6-2)7-3)13-10-8-12(4)9-11-13/h8-11,14H,5-7H2,1-4H3/t14-/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)=62.0603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.345 g/mol  logS: -2.91365  SlogP: 3.88342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.311637  Sterimol/B1: 2.14604  Sterimol/B2: 2.58258  Sterimol/B3: 5.92989
  Sterimol/B4: 6.50084  Sterimol/L: 11.7013 
 
 Surface and Volume Properties
  Accessible surface: 451.439  Positive charged surface: 312.716  Negative charged surface: 138.723  Volume: 242.5
  Hydrophobic surface: 390.027  Hydrophilic surface: 61.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02827937
PUBCHEM-ZINC01855205