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


NCID-ZINC01623477

 MMsINC code: MMs02270808
Type: Neutral
Formula: C11H21ClN2O
SMILES:   ClCCNC(=O)NC1CC(CC(C1)C)C
InChI:   InChI=1/C11H21ClN2O/c1-8-5-9(2)7-10(6-8)14-11(15)13-4-3-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15)/t8-,9+,10-

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)=-5.83974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.755 g/mol  logS: -2.87119  SlogP: 2.3491  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0583318  Sterimol/B1: 2.27523  Sterimol/B2: 2.60936  Sterimol/B3: 3.28349
  Sterimol/B4: 7.3371  Sterimol/L: 15.4073 
 
 Surface and Volume Properties
  Accessible surface: 483.119  Positive charged surface: 335.492  Negative charged surface: 147.627  Volume: 234.5
  Hydrophobic surface: 303.379  Hydrophilic surface: 179.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.