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


PUBCHEM-ZINC03677079

 MMsINC code: MMs03039195
Type: Neutral
Formula: C11H15NO2
SMILES:   OC(=O)C(N)(C)c1ccc(cc1C)C
InChI:   InChI=1/C11H15NO2/c1-7-4-5-9(8(2)6-7)11(3,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)/t11-/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)=81.7918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -2.32069  SlogP: 1.87344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107661  Sterimol/B1: 3.54661  Sterimol/B2: 3.60691  Sterimol/B3: 4.08577
  Sterimol/B4: 4.34358  Sterimol/L: 11.365 
 
 Surface and Volume Properties
  Accessible surface: 387.296  Positive charged surface: 238.148  Negative charged surface: 149.148  Volume: 194.75
  Hydrophobic surface: 258.908  Hydrophilic surface: 128.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03039196
PUBCHEM-ZINC03677079