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


ACROSORGANICS-ZINC01663959

 MMsINC code: MMs00010365
Type: Ionized
Formula: C5H2FN2O4-
SMILES:   FC=1C(=O)NC(=O)NC=1C(=O)[O-]
InChI:   InChI=1/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)/p-1

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)=-8.02584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.079 g/mol  logS: -1.35738  SlogP: -2.1343  Reactive groups: 0
 
 Topological Properties
  Globularity: 8.21278e-09  Sterimol/B1: 2.097  Sterimol/B2: 2.09762  Sterimol/B3: 2.80803
  Sterimol/B4: 5.24188  Sterimol/L: 9.0716 
 
 Surface and Volume Properties
  Accessible surface: 291.501  Positive charged surface: 115.616  Negative charged surface: 175.885  Volume: 119.375
  Hydrophobic surface: 47.8641  Hydrophilic surface: 243.6369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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:  
   
Parent related molecule:


MMs00010364
ACROSORGANICS-ZINC01663959