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


MAYBRIDGE-ZINC00164352

 MMsINC code: MMs02144738
Type: Neutral
Formula: C10H11NO4
SMILES:   OC(=O)C(NC(=O)c1ccccc1)CO
InChI:   InChI=1/C10H11NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15)/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)=43.2923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.201 g/mol  logS: -1.32431  SlogP: -0.1381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090595  Sterimol/B1: 3.00112  Sterimol/B2: 3.38546  Sterimol/B3: 3.80713
  Sterimol/B4: 4.20492  Sterimol/L: 12.8917 
 
 Surface and Volume Properties
  Accessible surface: 412.062  Positive charged surface: 238.252  Negative charged surface: 173.81  Volume: 191.125
  Hydrophobic surface: 242.493  Hydrophilic surface: 169.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02144739
MAYBRIDGE-ZINC00164352