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


MAYBRIDGE-ZINC00075914

 MMsINC code: MMs02128026
Type: Neutral
Formula: C10H10N2O3
SMILES:   o1nc(OC(=O)N(C)C)c2c1cccc2
InChI:   InChI=1/C10H10N2O3/c1-12(2)10(13)14-9-7-5-3-4-6-8(7)15-11-9/h3-6H,1-2H3

Download   format file 
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)=37.6407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.201 g/mol  logS: -2.27056  SlogP: 1.8882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112191  Sterimol/B1: 2.37509  Sterimol/B2: 2.51375  Sterimol/B3: 3.35271
  Sterimol/B4: 4.56657  Sterimol/L: 13.7226 
 
 Surface and Volume Properties
  Accessible surface: 404.005  Positive charged surface: 270.085  Negative charged surface: 128.219  Volume: 188.125
  Hydrophobic surface: 341.086  Hydrophilic surface: 62.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.