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


PUBCHEM-ZINC02020139

 MMsINC code: MMs02855621
Type: Neutral
Formula: C11H17N
SMILES:   N(CC(C)c1ccccc1)(C)C
InChI:   InChI=1/C11H17N/c1-10(9-12(2)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10-/m1/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)=41.6003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.264 g/mol  logS: -1.51957  SlogP: 2.3517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163638  Sterimol/B1: 2.18261  Sterimol/B2: 3.48322  Sterimol/B3: 3.99641
  Sterimol/B4: 5.34064  Sterimol/L: 12.3194 
 
 Surface and Volume Properties
  Accessible surface: 397.364  Positive charged surface: 296.835  Negative charged surface: 100.529  Volume: 192.625
  Hydrophobic surface: 378.063  Hydrophilic surface: 19.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02855622
PUBCHEM-ZINC02020139