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


NCID-ZINC01733287

 MMsINC code: MMs02355794
Type: Neutral
Formula: C10H18N2
SMILES:   N(N)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H18N2/c11-12-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,12H,1-6,11H2/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)=44.2768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.268 g/mol  logS: -2.08831  SlogP: 1.4185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.464707  Sterimol/B1: 2.54183  Sterimol/B2: 3.60055  Sterimol/B3: 4.25452
  Sterimol/B4: 5.03762  Sterimol/L: 9.8274 
 
 Surface and Volume Properties
  Accessible surface: 344.361  Positive charged surface: 283.343  Negative charged surface: 61.018  Volume: 175.75
  Hydrophobic surface: 262.994  Hydrophilic surface: 81.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02355795
NCID-ZINC01733287