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


PUBCHEM-ZINC05549653

 MMsINC code: MMs03304228
Type: Neutral
Formula: C10H14N2O2
SMILES:   OC(C(=O)N)c1ccc(N(C)C)cc1
InChI:   InChI=1/C10H14N2O2/c1-12(2)8-5-3-7(4-6-8)9(13)10(11)14/h3-6,9,13H,1-2H3,(H2,11,14)/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)=68.1157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.234 g/mol  logS: -1.36187  SlogP: 0.3668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921387  Sterimol/B1: 2.31243  Sterimol/B2: 3.19632  Sterimol/B3: 3.57015
  Sterimol/B4: 4.8673  Sterimol/L: 11.9856 
 
 Surface and Volume Properties
  Accessible surface: 399.826  Positive charged surface: 284.001  Negative charged surface: 115.825  Volume: 191.875
  Hydrophobic surface: 260.533  Hydrophilic surface: 139.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.