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


PUBCHEM-ZINC05544809

 MMsINC code: MMs03303237
Type: Neutral
Formula: C9H11FN4O6
SMILES:   FC1C(O)C(OC1CO)n1cnc([N+](=O)[O-])c1C(=O)N
InChI:   InChI=1/C9H11FN4O6/c10-4-3(1-15)20-9(6(4)16)13-2-12-8(14(18)19)5(13)7(11)17/h2-4,6,9,15-16H,1H2,(H2,11,17)/t3-,4+,6+,9+/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)=114.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.207 g/mol  logS: -1.48046  SlogP: -1.0057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0860019  Sterimol/B1: 2.93625  Sterimol/B2: 2.94967  Sterimol/B3: 3.63144
  Sterimol/B4: 6.413  Sterimol/L: 12.7702 
 
 Surface and Volume Properties
  Accessible surface: 431.418  Positive charged surface: 248.753  Negative charged surface: 182.665  Volume: 216.75
  Hydrophobic surface: 117.919  Hydrophilic surface: 313.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  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:  
   

Ions/Tautomers related molecules


MMs03303238
PUBCHEM-ZINC05544809