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


ENAMINE-ZINC06566693

 MMsINC code: MMs01675637
Type: Neutral
Formula: C10H18ClNO
SMILES:   ClC(C(=O)N1CC(CC(C1)C)C)C
InChI:   InChI=1/C10H18ClNO/c1-7-4-8(2)6-12(5-7)10(13)9(3)11/h7-9H,4-6H2,1-3H3/t7-,8+,9-/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)=38.9494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.713 g/mol  logS: -1.9073  SlogP: 2.5381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111624  Sterimol/B1: 2.13471  Sterimol/B2: 3.02859  Sterimol/B3: 4.25124
  Sterimol/B4: 7.21755  Sterimol/L: 11.7338 
 
 Surface and Volume Properties
  Accessible surface: 414.687  Positive charged surface: 268.568  Negative charged surface: 146.119  Volume: 205.125
  Hydrophobic surface: 268.76  Hydrophilic surface: 145.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.