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


ENAMINE-ZINC02525582

 MMsINC code: MMs01251593
Type: Tautomer
Formula: C5H11N
SMILES:   NC(C)C1CC1
InChI:   InChI=1/C5H11N/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3/t4-/m1/s1

Download   format file 
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)=15.1199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 85.15 g/mol  logS: -0.23782  SlogP: 0.7436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275399  Sterimol/B1: 2.54977  Sterimol/B2: 2.88358  Sterimol/B3: 3.27376
  Sterimol/B4: 4.10477  Sterimol/L: 8.49216 
 
 Surface and Volume Properties
  Accessible surface: 269.086  Positive charged surface: 195.711  Negative charged surface: 73.3746  Volume: 106.5
  Hydrophobic surface: 161.576  Hydrophilic surface: 107.51
 
 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:


MMs01251592
ENAMINE-ZINC02525582