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


PUBCHEM-ZINC06068677

 MMsINC code: MMs03521561
Type: Neutral
Formula: C11H12N2O3
SMILES:   Oc1ccc(N2N(C)C(C)C(=O)C2=O)cc1
InChI:   InChI=1/C11H12N2O3/c1-7-10(15)11(16)13(12(7)2)8-3-5-9(14)6-4-8/h3-7,14H,1-2H3/t7-/m1/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)=75.7223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.228 g/mol  logS: -1.6993  SlogP: 0.5432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131403  Sterimol/B1: 2.4602  Sterimol/B2: 2.86941  Sterimol/B3: 4.63953
  Sterimol/B4: 5.04408  Sterimol/L: 12.806 
 
 Surface and Volume Properties
  Accessible surface: 416.15  Positive charged surface: 256.113  Negative charged surface: 160.037  Volume: 202.375
  Hydrophobic surface: 260.763  Hydrophilic surface: 155.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs03521562
PUBCHEM-ZINC06068677