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


ENAMINE-ZINC01598924

 MMsINC code: MMs01242905
Type: Neutral
Formula: C10H16N+
SMILES:   [NH3+]CC(CC)c1ccccc1
InChI:   InChI=1/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/p+1/t9-/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)=29.2134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.245 g/mol  logS: -1.80387  SlogP: 1.4221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244648  Sterimol/B1: 2.33516  Sterimol/B2: 3.62498  Sterimol/B3: 3.84831
  Sterimol/B4: 6.22599  Sterimol/L: 10.9051 
 
 Surface and Volume Properties
  Accessible surface: 375.864  Positive charged surface: 278.411  Negative charged surface: 97.4528  Volume: 177.75
  Hydrophobic surface: 282.386  Hydrophilic surface: 93.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs01242906
ENAMINE-ZINC01598924