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


PUBCHEM-ZINC05819721

 MMsINC code: MMs03398827
Type: Neutral
Formula: C9H21N
SMILES:   N(CC(CCC)CCC)C
InChI:   InChI=1/C9H21N/c1-4-6-9(7-5-2)8-10-3/h9-10H,4-8H2,1-3H3

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)=10.5566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.274 g/mol  logS: -2.14911  SlogP: 2.4222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114002  Sterimol/B1: 2.74026  Sterimol/B2: 3.0305  Sterimol/B3: 3.54007
  Sterimol/B4: 7.29724  Sterimol/L: 11.0543 
 
 Surface and Volume Properties
  Accessible surface: 404.192  Positive charged surface: 336.914  Negative charged surface: 67.2784  Volume: 182.75
  Hydrophobic surface: 339.898  Hydrophilic surface: 64.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03398828
PUBCHEM-ZINC05819721