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


PUBCHEM-ZINC05651649

 MMsINC code: MMs03337846
Type: Neutral
Formula: C10H19N
SMILES:   N(C)C1(C2CC(C1)CC2)CC
InChI:   InChI=1/C10H19N/c1-3-10(11-2)7-8-4-5-9(10)6-8/h8-9,11H,3-7H2,1-2H3/t8-,9+,10+/m0/s1

Download   format file 
Drug Similarity  |  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)=60.5603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.45733  SlogP: 2.1746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.323449  Sterimol/B1: 2.36605  Sterimol/B2: 3.21136  Sterimol/B3: 3.64585
  Sterimol/B4: 5.67077  Sterimol/L: 9.61356 
 
 Surface and Volume Properties
  Accessible surface: 348.261  Positive charged surface: 279.511  Negative charged surface: 68.7493  Volume: 177.125
  Hydrophobic surface: 312.639  Hydrophilic surface: 35.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03337847
PUBCHEM-ZINC05651649