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


NCID-ZINC01684339

 MMsINC code: MMs02317789
Type: Ionized
Formula: C11H13FNO4-
SMILES:   Fc1ccc(NC2OC(CO)C(O)C2[O-])cc1
InChI:   InChI=1/C11H13FNO4/c12-6-1-3-7(4-2-6)13-11-10(16)9(15)8(5-14)17-11/h1-4,8-11,13-15H,5H2/q-1/t8-,9+,10+,11+/m0/s1

Download   format file 
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)=47.3028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.226 g/mol  logS: -1.11243  SlogP: 0.1148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873555  Sterimol/B1: 2.72295  Sterimol/B2: 3.60547  Sterimol/B3: 3.70539
  Sterimol/B4: 5.77497  Sterimol/L: 12.5427 
 
 Surface and Volume Properties
  Accessible surface: 432.435  Positive charged surface: 248.293  Negative charged surface: 184.142  Volume: 208.5
  Hydrophobic surface: 311.225  Hydrophilic surface: 121.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 1  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs02317788
NCID-ZINC01684339