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


ACROSORGANICS-ZINC00389513

 MMsINC code: MMs00007148
Type: Neutral
Formula: C10H11NO3
SMILES:   OC(=O)CNC(=O)c1ccccc1C
InChI:   InChI=1/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

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)=47.5383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.202 g/mol  logS: -2.00077  SlogP: 0.80942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153968  Sterimol/B1: 1.969  Sterimol/B2: 2.25316  Sterimol/B3: 2.50351
  Sterimol/B4: 6.84377  Sterimol/L: 12.9886 
 
 Surface and Volume Properties
  Accessible surface: 391.468  Positive charged surface: 232.409  Negative charged surface: 159.059  Volume: 181.625
  Hydrophobic surface: 255.058  Hydrophilic surface: 136.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00007149
ACROSORGANICS-ZINC00389513