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


NCID-ZINC01666802

 MMsINC code: MMs02302934
Type: Neutral
Formula: C10H13N
SMILES:   N(C)(C)c1ccccc1C=C
InChI:   InChI=1/C10H13N/c1-4-9-7-5-6-8-10(9)11(2)3/h4-8H,1H2,2-3H3

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)=92.0207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.221 g/mol  logS: -2.09553  SlogP: 2.3956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170643  Sterimol/B1: 2.38115  Sterimol/B2: 4.10914  Sterimol/B3: 4.7673
  Sterimol/B4: 5.55913  Sterimol/L: 9.32069 
 
 Surface and Volume Properties
  Accessible surface: 363.398  Positive charged surface: 250.204  Negative charged surface: 113.195  Volume: 169
  Hydrophobic surface: 325.754  Hydrophilic surface: 37.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.