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


NCID-ZINC01639107

 MMsINC code: MMs02281423
Type: Neutral
Formula: C8H6F2N4O5
SMILES:   FC1(N2C=C(F)C(=O)NC2=O)C(O)NC(=O)NC1=O
InChI:   InChI=1/C8H6F2N4O5/c9-2-1-14(7(19)11-3(2)15)8(10)4(16)12-6(18)13-5(8)17/h1,4,16H,(H,11,15,19)(H2,12,13,17,18)/t4-,8+/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)=23.4674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.155 g/mol  logS: -1.30408  SlogP: -1.2985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.312889  Sterimol/B1: 3.40296  Sterimol/B2: 3.97405  Sterimol/B3: 4.5095
  Sterimol/B4: 4.97608  Sterimol/L: 10.467 
 
 Surface and Volume Properties
  Accessible surface: 387.914  Positive charged surface: 178.978  Negative charged surface: 208.937  Volume: 185.75
  Hydrophobic surface: 75.5174  Hydrophilic surface: 312.3966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.