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


NCID-ZINC01630075

 MMsINC code: MMs02275385
Type: Neutral
Formula: C10H16ClN
SMILES:   ClC12CC3(N)CC(C1)CC(C3)C2
InChI:   InChI=1/C10H16ClN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,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)=25.4806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.698 g/mol  logS: -2.17043  SlogP: 2.6952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.652678  Sterimol/B1: 2.43881  Sterimol/B2: 3.52381  Sterimol/B3: 4.07763
  Sterimol/B4: 6.49848  Sterimol/L: 8.75411 
 
 Surface and Volume Properties
  Accessible surface: 348.57  Positive charged surface: 240.382  Negative charged surface: 108.188  Volume: 175.875
  Hydrophobic surface: 236.671  Hydrophilic surface: 111.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02275386
NCID-ZINC01630075