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


PUBCHEM-ZINC00346030

 MMsINC code: MMs02660300
Type: Ionized
Formula: C11H14NO2-
SMILES:   O=C([O-])c1cc(C)c(N(C)C)c(c1)C
InChI:   InChI=1/C11H15NO2/c1-7-5-9(11(13)14)6-8(2)10(7)12(3)4/h5-6H,1-4H3,(H,13,14)/p-1

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)=57.4851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.238 g/mol  logS: -1.86308  SlogP: 0.73294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153173  Sterimol/B1: 2.27989  Sterimol/B2: 3.48817  Sterimol/B3: 3.65086
  Sterimol/B4: 7.37429  Sterimol/L: 11.3428 
 
 Surface and Volume Properties
  Accessible surface: 394.626  Positive charged surface: 253.306  Negative charged surface: 141.32  Volume: 196.875
  Hydrophobic surface: 306.11  Hydrophilic surface: 88.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs02660299
PUBCHEM-ZINC00346030