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


NCID-ZINC05031890

 MMsINC code: MMs02431045
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N)C(\C(=C/CC)\CCC)CC
InChI:   InChI=1/C11H21NO/c1-4-7-9(8-5-2)10(6-3)11(12)13/h7,10H,4-6,8H2,1-3H3,(H2,12,13)/b9-7+/t10-/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)=29.6923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -3.48415  SlogP: 2.6344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.306789  Sterimol/B1: 2.14268  Sterimol/B2: 3.77963  Sterimol/B3: 4.20697
  Sterimol/B4: 7.33586  Sterimol/L: 10.9542 
 
 Surface and Volume Properties
  Accessible surface: 423.004  Positive charged surface: 298.514  Negative charged surface: 124.49  Volume: 210.875
  Hydrophobic surface: 262.131  Hydrophilic surface: 160.873
 
 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:  
   

Ions/Tautomers related molecules: no related molecules available.