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


PUBCHEM-ZINC05726870

 MMsINC code: MMs03360798
Type: Neutral
Formula: C10H19N
SMILES:   NC/1CCCC\C\1=C/C(C)C
InChI:   InChI=1/C10H19N/c1-8(2)7-9-5-3-4-6-10(9)11/h7-8,10H,3-6,11H2,1-2H3/b9-7+/t10-/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)=23.5808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -2.09808  SlogP: 2.4701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168379  Sterimol/B1: 2.04106  Sterimol/B2: 3.52095  Sterimol/B3: 4.60956
  Sterimol/B4: 5.16503  Sterimol/L: 10.7921 
 
 Surface and Volume Properties
  Accessible surface: 380.196  Positive charged surface: 297.262  Negative charged surface: 82.9335  Volume: 183
  Hydrophobic surface: 283.441  Hydrophilic surface: 96.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03360799
PUBCHEM-ZINC05726870