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


ENAMINE-ZINC04207114

 MMsINC code: MMs01534726
Type: Tautomer
Formula: C14H23N
SMILES:   NC(C(C)C)c1ccc(cc1)CCCC
InChI:   InChI=1/C14H23N/c1-4-5-6-12-7-9-13(10-8-12)14(15)11(2)3/h7-11,14H,4-6,15H2,1-3H3/t14-/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)=31.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.345 g/mol  logS: -3.80013  SlogP: 3.78047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835162  Sterimol/B1: 2.51569  Sterimol/B2: 3.01658  Sterimol/B3: 4.51648
  Sterimol/B4: 5.14975  Sterimol/L: 15.0017 
 
 Surface and Volume Properties
  Accessible surface: 475.263  Positive charged surface: 343.18  Negative charged surface: 132.083  Volume: 244.5
  Hydrophobic surface: 367.453  Hydrophilic surface: 107.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:  
   
Parent related molecule:


MMs01534725
ENAMINE-ZINC04207114