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


PUBCHEM-ZINC03676840

 MMsINC code: MMs03038986
Type: Ionized
Formula: C11H14NO3-
SMILES:   O(C)c1ccc(C(N)C(=O)[O-])c(C)c1C
InChI:   InChI=1/C11H15NO3/c1-6-7(2)9(15-3)5-4-8(6)10(12)11(13)14/h4-5,10H,12H2,1-3H3,(H,13,14)/p-1/t10-/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)=75.9396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.237 g/mol  logS: -1.99086  SlogP: 0.15724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878845  Sterimol/B1: 2.28077  Sterimol/B2: 3.31968  Sterimol/B3: 3.91771
  Sterimol/B4: 6.28432  Sterimol/L: 12.2687 
 
 Surface and Volume Properties
  Accessible surface: 413.427  Positive charged surface: 266.886  Negative charged surface: 146.541  Volume: 203.125
  Hydrophobic surface: 282.864  Hydrophilic surface: 130.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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:  
   
Parent related molecule:


MMs03038985
PUBCHEM-ZINC03676840