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


ASINEX-ZINC00129406

 MMsINC code: MMs00079929
Type: Neutral
Formula: C10H12N2O3
SMILES:   OC(=O)C(NC(=O)N)Cc1ccccc1
InChI:   InChI=1/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/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)=9.30484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.217 g/mol  logS: -1.53553  SlogP: 0.35057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160953  Sterimol/B1: 3.35701  Sterimol/B2: 3.5406  Sterimol/B3: 4.57655
  Sterimol/B4: 4.72621  Sterimol/L: 11.3558 
 
 Surface and Volume Properties
  Accessible surface: 409.103  Positive charged surface: 238.817  Negative charged surface: 170.286  Volume: 191.75
  Hydrophobic surface: 213.575  Hydrophilic surface: 195.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00079930
ASINEX-ZINC00129406