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


PUBCHEM-ZINC06250758

 MMsINC code: MMs03638510
Type: Neutral
Formula: C11H20ClNO
SMILES:   ClCCCC(=O)N1CC(CC(C1)C)C
InChI:   InChI=1/C11H20ClNO/c1-9-6-10(2)8-13(7-9)11(14)4-3-5-12/h9-10H,3-8H2,1-2H3/t9-,10-/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)=21.8958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.74 g/mol  logS: -1.66378  SlogP: 2.5099  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128465  Sterimol/B1: 2.16912  Sterimol/B2: 3.24386  Sterimol/B3: 3.8286
  Sterimol/B4: 6.66622  Sterimol/L: 13.4005 
 
 Surface and Volume Properties
  Accessible surface: 447.18  Positive charged surface: 304.845  Negative charged surface: 142.335  Volume: 223.625
  Hydrophobic surface: 308.326  Hydrophilic surface: 138.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.